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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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/Denv1_dominio3_RNAco-3a18891c/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 83 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 83 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: 420
n_atoms_counter: 420
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 83.000000 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: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1007.633841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.633841 (E_RNA)
where:
Base-Base interactions energy: -692.362
where: short stacking energy: -292.197
Base-Backbone interact. energy: -0.796
local terms energy: -314.475498
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -90.581
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1006.751042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.751042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.751042 (E_RNA)
where:
Base-Base interactions energy: -687.268
where: short stacking energy: -292.124
Base-Backbone interact. energy: -0.078
local terms energy: -319.405172
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -71.384
flat angles C4'-P-C4' energy: -60.206
flat angles P-C4'-P energy: -48.934
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1005.999392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.999392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.999392 (E_RNA)
where:
Base-Base interactions energy: -687.341
where: short stacking energy: -292.115
Base-Backbone interact. energy: 0.005
local terms energy: -318.662990
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -71.384
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: -89.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1005.505490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.505490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.505490 (E_RNA)
where:
Base-Base interactions energy: -687.107
where: short stacking energy: -291.912
Base-Backbone interact. energy: 0.104
local terms energy: -318.502344
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -59.698
flat angles P-C4'-P energy: -48.867
tors. eta vs tors. theta energy: -89.843
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1003.873979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.873979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.873979 (E_RNA)
where:
Base-Base interactions energy: -686.047
where: short stacking energy: -292.463
Base-Backbone interact. energy: 0.200
local terms energy: -318.027437
where:
bonds (distance) C4'-P energy: -47.365
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -90.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1002.011159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.011159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.011159 (E_RNA)
where:
Base-Base interactions energy: -685.399
where: short stacking energy: -289.689
Base-Backbone interact. energy: -0.781
local terms energy: -315.831670
where:
bonds (distance) C4'-P energy: -44.231
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -59.686
flat angles P-C4'-P energy: -49.880
tors. eta vs tors. theta energy: -90.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1001.559518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.559518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.559518 (E_RNA)
where:
Base-Base interactions energy: -684.947
where: short stacking energy: -289.300
Base-Backbone interact. energy: -0.780
local terms energy: -315.831670
where:
bonds (distance) C4'-P energy: -44.231
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -59.686
flat angles P-C4'-P energy: -49.880
tors. eta vs tors. theta energy: -90.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1001.555099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.555099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.555099 (E_RNA)
where:
Base-Base interactions energy: -684.943
where: short stacking energy: -289.299
Base-Backbone interact. energy: -0.780
local terms energy: -315.831670
where:
bonds (distance) C4'-P energy: -44.231
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -59.686
flat angles P-C4'-P energy: -49.880
tors. eta vs tors. theta energy: -90.392
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: 2
Temperature: 1.250000
Total energy: -1001.515229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.515229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.515229 (E_RNA)
where:
Base-Base interactions energy: -684.923
where: short stacking energy: -289.297
Base-Backbone interact. energy: -0.780
local terms energy: -315.812632
where:
bonds (distance) C4'-P energy: -44.231
bonds (distance) P-C4' energy: -71.642
flat angles C4'-P-C4' energy: -59.667
flat angles P-C4'-P energy: -49.880
tors. eta vs tors. theta energy: -90.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1002.773480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.773480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.773480 (E_RNA)
where:
Base-Base interactions energy: -691.112
where: short stacking energy: -291.147
Base-Backbone interact. energy: -0.796
local terms energy: -310.864867
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -68.940
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -49.768
tors. eta vs tors. theta energy: -90.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1002.771016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.771016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.771016 (E_RNA)
where:
Base-Base interactions energy: -691.110
where: short stacking energy: -291.146
Base-Backbone interact. energy: -0.796
local terms energy: -310.864867
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -68.940
flat angles C4'-P-C4' energy: -59.122
flat angles P-C4'-P energy: -49.768
tors. eta vs tors. theta energy: -90.518
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -967.174354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.174354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.174354 (E_RNA)
where:
Base-Base interactions energy: -663.062
where: short stacking energy: -284.439
Base-Backbone interact. energy: -1.556
local terms energy: -302.555914
where:
bonds (distance) C4'-P energy: -58.974
bonds (distance) P-C4' energy: -52.356
flat angles C4'-P-C4' energy: -57.836
flat angles P-C4'-P energy: -42.735
tors. eta vs tors. theta energy: -90.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -947.386503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.386503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.386503 (E_RNA)
where:
Base-Base interactions energy: -653.765
where: short stacking energy: -287.717
Base-Backbone interact. energy: -0.091
local terms energy: -293.530275
where:
bonds (distance) C4'-P energy: -56.857
bonds (distance) P-C4' energy: -49.887
flat angles C4'-P-C4' energy: -61.716
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: -88.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -934.892271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.892271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.892271 (E_RNA)
where:
Base-Base interactions energy: -650.213
where: short stacking energy: -276.581
Base-Backbone interact. energy: -1.368
local terms energy: -283.310913
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -34.761
tors. eta vs tors. theta energy: -85.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -892.565848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.565848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.565848 (E_RNA)
where:
Base-Base interactions energy: -620.960
where: short stacking energy: -261.718
Base-Backbone interact. energy: -0.707
local terms energy: -270.898495
where:
bonds (distance) C4'-P energy: -54.342
bonds (distance) P-C4' energy: -41.375
flat angles C4'-P-C4' energy: -55.825
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -80.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -890.421930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.421930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.421930 (E_RNA)
where:
Base-Base interactions energy: -618.906
where: short stacking energy: -261.294
Base-Backbone interact. energy: -0.630
local terms energy: -270.885844
where:
bonds (distance) C4'-P energy: -52.402
bonds (distance) P-C4' energy: -48.353
flat angles C4'-P-C4' energy: -51.197
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -82.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -844.631976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.631976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.631976 (E_RNA)
where:
Base-Base interactions energy: -588.432
where: short stacking energy: -238.639
Base-Backbone interact. energy: -0.880
local terms energy: -255.320771
where:
bonds (distance) C4'-P energy: -47.284
bonds (distance) P-C4' energy: -41.833
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -77.076
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: 3
Temperature: 1.200000
Total energy: -839.042485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.042485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.042485 (E_RNA)
where:
Base-Base interactions energy: -597.673
where: short stacking energy: -256.005
Base-Backbone interact. energy: 2.219
local terms energy: -243.589188
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -79.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -817.207233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.207233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.207233 (E_RNA)
where:
Base-Base interactions energy: -561.851
where: short stacking energy: -233.906
Base-Backbone interact. energy: 0.512
local terms energy: -255.868421
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -43.919
flat angles C4'-P-C4' energy: -50.424
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -78.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -727.600182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.600182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.600182 (E_RNA)
where:
Base-Base interactions energy: -504.814
where: short stacking energy: -203.297
Base-Backbone interact. energy: 1.559
local terms energy: -224.344857
where:
bonds (distance) C4'-P energy: -42.676
bonds (distance) P-C4' energy: -47.779
flat angles C4'-P-C4' energy: -48.991
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -55.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -737.235059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.235059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.235059 (E_RNA)
where:
Base-Base interactions energy: -506.413
where: short stacking energy: -207.619
Base-Backbone interact. energy: -0.732
local terms energy: -230.089651
where:
bonds (distance) C4'-P energy: -46.828
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -39.668
tors. eta vs tors. theta energy: -61.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -950.122434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.122434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.122434 (E_RNA)
where:
Base-Base interactions energy: -661.214
where: short stacking energy: -280.965
Base-Backbone interact. energy: 0.248
local terms energy: -289.156926
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -90.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -939.367067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.367067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.367067 (E_RNA)
where:
Base-Base interactions energy: -633.782
where: short stacking energy: -275.248
Base-Backbone interact. energy: -0.966
local terms energy: -304.618920
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -84.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -943.243939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.243939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.243939 (E_RNA)
where:
Base-Base interactions energy: -663.988
where: short stacking energy: -283.205
Base-Backbone interact. energy: -0.562
local terms energy: -278.693547
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -47.085
flat angles C4'-P-C4' energy: -52.296
flat angles P-C4'-P energy: -37.930
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: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -906.615058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.615058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.615058 (E_RNA)
where:
Base-Base interactions energy: -636.606
where: short stacking energy: -263.935
Base-Backbone interact. energy: 4.496
local terms energy: -274.505738
where:
bonds (distance) C4'-P energy: -41.748
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -37.205
tors. eta vs tors. theta energy: -83.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -881.944726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.944726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.944726 (E_RNA)
where:
Base-Base interactions energy: -609.182
where: short stacking energy: -267.058
Base-Backbone interact. energy: -0.373
local terms energy: -272.390013
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -52.037
flat angles C4'-P-C4' energy: -58.493
flat angles P-C4'-P energy: -34.999
tors. eta vs tors. theta energy: -84.925
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: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -838.253744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.253744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.253744 (E_RNA)
where:
Base-Base interactions energy: -599.766
where: short stacking energy: -252.424
Base-Backbone interact. energy: -1.291
local terms energy: -237.197186
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -74.439
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: 4
Temperature: 1.200000
Total energy: -806.060147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.060147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.060147 (E_RNA)
where:
Base-Base interactions energy: -549.006
where: short stacking energy: -222.457
Base-Backbone interact. energy: -0.963
local terms energy: -256.091591
where:
bonds (distance) C4'-P energy: -48.101
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: -71.259
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: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -791.635018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.635018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.635018 (E_RNA)
where:
Base-Base interactions energy: -568.626
where: short stacking energy: -235.031
Base-Backbone interact. energy: -0.503
local terms energy: -222.506091
where:
bonds (distance) C4'-P energy: -45.076
bonds (distance) P-C4' energy: -34.639
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -29.487
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -718.845587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.845587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.845587 (E_RNA)
where:
Base-Base interactions energy: -498.297
where: short stacking energy: -205.103
Base-Backbone interact. energy: 0.809
local terms energy: -221.358137
where:
bonds (distance) C4'-P energy: -43.586
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -41.830
flat angles P-C4'-P energy: -32.166
tors. eta vs tors. theta energy: -52.348
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: 4
Temperature: 1.350000
Total energy: -697.917901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.917901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.917901 (E_RNA)
where:
Base-Base interactions energy: -495.551
where: short stacking energy: -205.090
Base-Backbone interact. energy: -0.950
local terms energy: -201.416261
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -62.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -945.965059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.965059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.965059 (E_RNA)
where:
Base-Base interactions energy: -645.858
where: short stacking energy: -271.648
Base-Backbone interact. energy: -0.867
local terms energy: -299.239376
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -59.014
flat angles P-C4'-P energy: -45.869
tors. eta vs tors. theta energy: -81.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -945.711147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.711147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.711147 (E_RNA)
where:
Base-Base interactions energy: -656.856
where: short stacking energy: -268.380
Base-Backbone interact. energy: -0.474
local terms energy: -288.381363
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -84.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -919.429134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.429134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.429134 (E_RNA)
where:
Base-Base interactions energy: -634.657
where: short stacking energy: -275.929
Base-Backbone interact. energy: -0.960
local terms energy: -283.812738
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -43.526
tors. eta vs tors. theta energy: -83.666
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: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -893.806362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.806362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.806362 (E_RNA)
where:
Base-Base interactions energy: -611.301
where: short stacking energy: -248.233
Base-Backbone interact. energy: 1.812
local terms energy: -284.316799
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -55.866
flat angles C4'-P-C4' energy: -60.116
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -81.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -867.459657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.459657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.459657 (E_RNA)
where:
Base-Base interactions energy: -609.628
where: short stacking energy: -256.887
Base-Backbone interact. energy: 0.187
local terms energy: -258.018751
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -83.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -798.940551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.940551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.940551 (E_RNA)
where:
Base-Base interactions energy: -533.505
where: short stacking energy: -218.434
Base-Backbone interact. energy: -1.096
local terms energy: -264.339637
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -59.651
flat angles C4'-P-C4' energy: -52.761
flat angles P-C4'-P energy: -34.210
tors. eta vs tors. theta energy: -70.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -805.205000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.205000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.205000 (E_RNA)
where:
Base-Base interactions energy: -566.758
where: short stacking energy: -239.710
Base-Backbone interact. energy: -0.911
local terms energy: -237.536220
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -64.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -786.551422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.551422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.551422 (E_RNA)
where:
Base-Base interactions energy: -549.375
where: short stacking energy: -225.168
Base-Backbone interact. energy: -1.025
local terms energy: -236.151456
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -32.192
tors. eta vs tors. theta energy: -59.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -734.539454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.539454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.539454 (E_RNA)
where:
Base-Base interactions energy: -503.253
where: short stacking energy: -196.534
Base-Backbone interact. energy: 0.144
local terms energy: -231.430836
where:
bonds (distance) C4'-P energy: -37.025
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -48.648
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: -63.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -666.150408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.150408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.150408 (E_RNA)
where:
Base-Base interactions energy: -458.804
where: short stacking energy: -182.520
Base-Backbone interact. energy: -0.183
local terms energy: -207.163416
where:
bonds (distance) C4'-P energy: -49.493
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -50.015
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: -46.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -960.383950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.383950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.383950 (E_RNA)
where:
Base-Base interactions energy: -652.439
where: short stacking energy: -282.707
Base-Backbone interact. energy: -1.073
local terms energy: -306.872406
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -62.443
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -44.481
tors. eta vs tors. theta energy: -88.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -936.370418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.370418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.370418 (E_RNA)
where:
Base-Base interactions energy: -650.724
where: short stacking energy: -282.757
Base-Backbone interact. energy: -1.578
local terms energy: -284.069294
where:
bonds (distance) C4'-P energy: -59.274
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -81.771
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: 6
Temperature: 1.000000
Total energy: -927.574309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.574309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.574309 (E_RNA)
where:
Base-Base interactions energy: -646.247
where: short stacking energy: -281.386
Base-Backbone interact. energy: -0.438
local terms energy: -280.889081
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -54.702
flat angles C4'-P-C4' energy: -54.067
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -84.120
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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -900.182217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.182217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.182217 (E_RNA)
where:
Base-Base interactions energy: -625.464
where: short stacking energy: -254.992
Base-Backbone interact. energy: -0.766
local terms energy: -273.951455
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -48.812
flat angles C4'-P-C4' energy: -51.190
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -79.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -863.237152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.237152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.237152 (E_RNA)
where:
Base-Base interactions energy: -577.082
where: short stacking energy: -232.673
Base-Backbone interact. energy: -1.134
local terms energy: -285.020813
where:
bonds (distance) C4'-P energy: -47.953
bonds (distance) P-C4' energy: -57.436
flat angles C4'-P-C4' energy: -63.372
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -75.516
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: 6
Temperature: 1.150000
Total energy: -851.721488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.721488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.721488 (E_RNA)
where:
Base-Base interactions energy: -589.442
where: short stacking energy: -248.020
Base-Backbone interact. energy: -0.774
local terms energy: -261.505221
where:
bonds (distance) C4'-P energy: -53.219
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -50.464
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -78.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -809.125485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.125485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.125485 (E_RNA)
where:
Base-Base interactions energy: -545.320
where: short stacking energy: -208.904
Base-Backbone interact. energy: 1.010
local terms energy: -264.816477
where:
bonds (distance) C4'-P energy: -51.578
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -54.165
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -72.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -804.550560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.550560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.550560 (E_RNA)
where:
Base-Base interactions energy: -566.754
where: short stacking energy: -227.101
Base-Backbone interact. energy: -0.799
local terms energy: -236.997970
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -57.327
flat angles C4'-P-C4' energy: -51.477
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -67.364
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -724.205033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.205033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.205033 (E_RNA)
where:
Base-Base interactions energy: -518.683
where: short stacking energy: -201.172
Base-Backbone interact. energy: -0.879
local terms energy: -204.642535
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -681.706705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.706705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.706705 (E_RNA)
where:
Base-Base interactions energy: -462.452
where: short stacking energy: -193.513
Base-Backbone interact. energy: 0.852
local terms energy: -220.106066
where:
bonds (distance) C4'-P energy: -37.898
bonds (distance) P-C4' energy: -37.274
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -55.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -971.820288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.820288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.820288 (E_RNA)
where:
Base-Base interactions energy: -668.772
where: short stacking energy: -288.985
Base-Backbone interact. energy: -0.555
local terms energy: -302.493156
where:
bonds (distance) C4'-P energy: -62.240
bonds (distance) P-C4' energy: -51.418
flat angles C4'-P-C4' energy: -63.919
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -86.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -947.173413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.173413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.173413 (E_RNA)
where:
Base-Base interactions energy: -654.191
where: short stacking energy: -268.291
Base-Backbone interact. energy: -1.117
local terms energy: -291.865531
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -65.681
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -85.324
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -927.022353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.022353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.022353 (E_RNA)
where:
Base-Base interactions energy: -643.267
where: short stacking energy: -278.296
Base-Backbone interact. energy: -0.306
local terms energy: -283.449201
where:
bonds (distance) C4'-P energy: -54.923
bonds (distance) P-C4' energy: -47.762
flat angles C4'-P-C4' energy: -63.127
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -84.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -909.189748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.189748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.189748 (E_RNA)
where:
Base-Base interactions energy: -633.800
where: short stacking energy: -275.927
Base-Backbone interact. energy: -1.228
local terms energy: -274.161741
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -87.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -878.306604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.306604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.306604 (E_RNA)
where:
Base-Base interactions energy: -618.701
where: short stacking energy: -264.607
Base-Backbone interact. energy: -1.014
local terms energy: -258.591852
where:
bonds (distance) C4'-P energy: -41.806
bonds (distance) P-C4' energy: -41.750
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -78.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -868.431029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.431029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.431029 (E_RNA)
where:
Base-Base interactions energy: -606.036
where: short stacking energy: -239.369
Base-Backbone interact. energy: 0.691
local terms energy: -263.086633
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -70.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -837.682571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.682571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.682571 (E_RNA)
where:
Base-Base interactions energy: -585.076
where: short stacking energy: -230.136
Base-Backbone interact. energy: 0.471
local terms energy: -253.077612
where:
bonds (distance) C4'-P energy: -48.604
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -58.346
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -71.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -737.160376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.160376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.160376 (E_RNA)
where:
Base-Base interactions energy: -515.243
where: short stacking energy: -207.600
Base-Backbone interact. energy: 0.407
local terms energy: -222.324972
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -48.090
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -27.965
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: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -689.728365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.728365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.728365 (E_RNA)
where:
Base-Base interactions energy: -475.619
where: short stacking energy: -192.924
Base-Backbone interact. energy: -2.137
local terms energy: -211.972957
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -55.921
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: 7
Temperature: 1.350000
Total energy: -609.327149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.327149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.327149 (E_RNA)
where:
Base-Base interactions energy: -403.935
where: short stacking energy: -152.647
Base-Backbone interact. energy: 0.838
local terms energy: -206.230459
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -47.630
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -33.686
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: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -957.903497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.903497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.903497 (E_RNA)
where:
Base-Base interactions energy: -664.152
where: short stacking energy: -280.571
Base-Backbone interact. energy: 0.932
local terms energy: -294.683988
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -50.519
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -88.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -910.503614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.503614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.503614 (E_RNA)
where:
Base-Base interactions energy: -628.127
where: short stacking energy: -258.327
Base-Backbone interact. energy: -0.926
local terms energy: -281.450787
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -51.379
flat angles C4'-P-C4' energy: -61.595
flat angles P-C4'-P energy: -44.401
tors. eta vs tors. theta energy: -72.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -920.650982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.650982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.650982 (E_RNA)
where:
Base-Base interactions energy: -632.772
where: short stacking energy: -279.506
Base-Backbone interact. energy: -1.979
local terms energy: -285.900019
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -63.644
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -83.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -884.376927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.376927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.376927 (E_RNA)
where:
Base-Base interactions energy: -616.648
where: short stacking energy: -249.265
Base-Backbone interact. energy: 1.582
local terms energy: -269.311410
where:
bonds (distance) C4'-P energy: -54.136
bonds (distance) P-C4' energy: -49.235
flat angles C4'-P-C4' energy: -51.974
flat angles P-C4'-P energy: -43.266
tors. eta vs tors. theta energy: -70.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -881.767363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.767363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.767363 (E_RNA)
where:
Base-Base interactions energy: -628.146
where: short stacking energy: -252.142
Base-Backbone interact. energy: -1.705
local terms energy: -251.916068
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -59.540
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -35.574
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: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -878.269170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.269170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.269170 (E_RNA)
where:
Base-Base interactions energy: -609.797
where: short stacking energy: -254.425
Base-Backbone interact. energy: 0.197
local terms energy: -268.669044
where:
bonds (distance) C4'-P energy: -53.922
bonds (distance) P-C4' energy: -50.051
flat angles C4'-P-C4' energy: -54.195
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -76.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -810.867370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.867370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.867370 (E_RNA)
where:
Base-Base interactions energy: -554.732
where: short stacking energy: -226.725
Base-Backbone interact. energy: 0.032
local terms energy: -256.167003
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -50.615
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -72.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -788.479964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.479964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.479964 (E_RNA)
where:
Base-Base interactions energy: -536.999
where: short stacking energy: -213.744
Base-Backbone interact. energy: -1.345
local terms energy: -250.136047
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -58.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -685.370952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.370952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.370952 (E_RNA)
where:
Base-Base interactions energy: -465.244
where: short stacking energy: -193.772
Base-Backbone interact. energy: 0.974
local terms energy: -221.100573
where:
bonds (distance) C4'-P energy: -40.536
bonds (distance) P-C4' energy: -43.080
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -37.659
tors. eta vs tors. theta energy: -52.008
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: 8
Temperature: 1.350000
Total energy: -600.229999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.229999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.229999 (E_RNA)
where:
Base-Base interactions energy: -406.642
where: short stacking energy: -167.319
Base-Backbone interact. energy: -1.057
local terms energy: -192.531695
where:
bonds (distance) C4'-P energy: -42.838
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -37.022
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -33.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -956.369331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.369331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.369331 (E_RNA)
where:
Base-Base interactions energy: -648.862
where: short stacking energy: -277.713
Base-Backbone interact. energy: -2.525
local terms energy: -304.983107
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -55.555
flat angles C4'-P-C4' energy: -60.512
flat angles P-C4'-P energy: -48.787
tors. eta vs tors. theta energy: -89.826
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: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -926.116468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.116468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.116468 (E_RNA)
where:
Base-Base interactions energy: -636.613
where: short stacking energy: -280.247
Base-Backbone interact. energy: -1.474
local terms energy: -288.030017
where:
bonds (distance) C4'-P energy: -49.675
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -61.586
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -84.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -917.093626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.093626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.093626 (E_RNA)
where:
Base-Base interactions energy: -644.554
where: short stacking energy: -271.781
Base-Backbone interact. energy: -1.263
local terms energy: -271.277055
where:
bonds (distance) C4'-P energy: -45.803
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -55.956
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -83.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -887.177549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.177549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.177549 (E_RNA)
where:
Base-Base interactions energy: -609.683
where: short stacking energy: -252.606
Base-Backbone interact. energy: -1.423
local terms energy: -276.071742
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -43.431
flat angles C4'-P-C4' energy: -60.553
flat angles P-C4'-P energy: -40.116
tors. eta vs tors. theta energy: -75.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -851.023487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.023487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.023487 (E_RNA)
where:
Base-Base interactions energy: -600.424
where: short stacking energy: -257.359
Base-Backbone interact. energy: -0.743
local terms energy: -249.855951
where:
bonds (distance) C4'-P energy: -48.896
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -48.955
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -76.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -886.706369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.706369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.706369 (E_RNA)
where:
Base-Base interactions energy: -623.004
where: short stacking energy: -245.846
Base-Backbone interact. energy: 4.617
local terms energy: -268.319684
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -53.285
flat angles P-C4'-P energy: -39.844
tors. eta vs tors. theta energy: -76.610
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: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -777.802514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.802514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.802514 (E_RNA)
where:
Base-Base interactions energy: -526.733
where: short stacking energy: -207.580
Base-Backbone interact. energy: 1.125
local terms energy: -252.194525
where:
bonds (distance) C4'-P energy: -51.324
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -50.627
flat angles P-C4'-P energy: -40.969
tors. eta vs tors. theta energy: -61.803
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: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -711.319534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.319534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.319534 (E_RNA)
where:
Base-Base interactions energy: -506.704
where: short stacking energy: -210.246
Base-Backbone interact. energy: -1.154
local terms energy: -203.460877
where:
bonds (distance) C4'-P energy: -50.200
bonds (distance) P-C4' energy: -32.016
flat angles C4'-P-C4' energy: -42.616
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -54.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -686.848351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.848351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.848351 (E_RNA)
where:
Base-Base interactions energy: -474.127
where: short stacking energy: -200.299
Base-Backbone interact. energy: -2.008
local terms energy: -210.712564
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -37.721
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -46.593
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: 9
Temperature: 1.350000
Total energy: -593.528210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.528210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.528210 (E_RNA)
where:
Base-Base interactions energy: -387.074
where: short stacking energy: -160.041
Base-Backbone interact. energy: -1.220
local terms energy: -205.234204
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -50.993
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -35.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -965.420619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.420619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.420619 (E_RNA)
where:
Base-Base interactions energy: -667.772
where: short stacking energy: -291.447
Base-Backbone interact. energy: -0.944
local terms energy: -296.704730
where:
bonds (distance) C4'-P energy: -56.517
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -61.463
flat angles P-C4'-P energy: -44.308
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: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -933.998267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.998267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.998267 (E_RNA)
where:
Base-Base interactions energy: -636.920
where: short stacking energy: -285.859
Base-Backbone interact. energy: -0.312
local terms energy: -296.766380
where:
bonds (distance) C4'-P energy: -58.746
bonds (distance) P-C4' energy: -54.433
flat angles C4'-P-C4' energy: -57.288
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -88.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -922.901288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.901288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.901288 (E_RNA)
where:
Base-Base interactions energy: -641.335
where: short stacking energy: -274.060
Base-Backbone interact. energy: -1.424
local terms energy: -280.142129
where:
bonds (distance) C4'-P energy: -45.587
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -82.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -898.099603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.099603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.099603 (E_RNA)
where:
Base-Base interactions energy: -629.170
where: short stacking energy: -254.871
Base-Backbone interact. energy: -1.041
local terms energy: -267.888421
where:
bonds (distance) C4'-P energy: -55.191
bonds (distance) P-C4' energy: -47.249
flat angles C4'-P-C4' energy: -54.868
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -78.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -863.576185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.576185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.576185 (E_RNA)
where:
Base-Base interactions energy: -599.490
where: short stacking energy: -255.536
Base-Backbone interact. energy: -2.839
local terms energy: -261.247045
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -60.224
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -74.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -853.651734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.651734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.651734 (E_RNA)
where:
Base-Base interactions energy: -599.597
where: short stacking energy: -250.169
Base-Backbone interact. energy: 0.250
local terms energy: -254.304282
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -37.649
flat angles C4'-P-C4' energy: -59.487
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -69.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -743.278694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.278694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.278694 (E_RNA)
where:
Base-Base interactions energy: -519.098
where: short stacking energy: -207.309
Base-Backbone interact. energy: -0.753
local terms energy: -223.427482
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -46.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -748.774394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.774394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.774394 (E_RNA)
where:
Base-Base interactions energy: -532.804
where: short stacking energy: -221.831
Base-Backbone interact. energy: -0.836
local terms energy: -215.134641
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -46.249
flat angles C4'-P-C4' energy: -45.148
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -55.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -686.643605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.643605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.643605 (E_RNA)
where:
Base-Base interactions energy: -470.426
where: short stacking energy: -193.650
Base-Backbone interact. energy: 3.130
local terms energy: -219.347919
where:
bonds (distance) C4'-P energy: -44.914
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -48.344
flat angles P-C4'-P energy: -35.985
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -615.796147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.796147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.796147 (E_RNA)
where:
Base-Base interactions energy: -435.996
where: short stacking energy: -161.322
Base-Backbone interact. energy: -1.851
local terms energy: -177.948745
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -30.353
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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -965.246501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.246501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.246501 (E_RNA)
where:
Base-Base interactions energy: -664.057
where: short stacking energy: -285.101
Base-Backbone interact. energy: -1.378
local terms energy: -299.811723
where:
bonds (distance) C4'-P energy: -56.488
bonds (distance) P-C4' energy: -56.580
flat angles C4'-P-C4' energy: -58.604
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -87.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -946.541065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.541065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.541065 (E_RNA)
where:
Base-Base interactions energy: -663.890
where: short stacking energy: -273.388
Base-Backbone interact. energy: -1.662
local terms energy: -280.988593
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -41.578
flat angles C4'-P-C4' energy: -61.712
flat angles P-C4'-P energy: -39.063
tors. eta vs tors. theta energy: -82.469
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -908.623389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.623389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.623389 (E_RNA)
where:
Base-Base interactions energy: -631.733
where: short stacking energy: -265.547
Base-Backbone interact. energy: -0.194
local terms energy: -276.696136
where:
bonds (distance) C4'-P energy: -52.148
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -58.124
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -76.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -889.661856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.661856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.661856 (E_RNA)
where:
Base-Base interactions energy: -623.221
where: short stacking energy: -263.140
Base-Backbone interact. energy: -1.891
local terms energy: -264.549534
where:
bonds (distance) C4'-P energy: -51.814
bonds (distance) P-C4' energy: -40.983
flat angles C4'-P-C4' energy: -56.125
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -78.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -866.937191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.937191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.937191 (E_RNA)
where:
Base-Base interactions energy: -601.024
where: short stacking energy: -246.911
Base-Backbone interact. energy: -0.787
local terms energy: -265.126136
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -56.164
flat angles C4'-P-C4' energy: -56.198
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -77.904
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: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -835.921793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.921793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.921793 (E_RNA)
where:
Base-Base interactions energy: -581.753
where: short stacking energy: -236.389
Base-Backbone interact. energy: 0.785
local terms energy: -254.954029
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -55.674
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -68.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -770.281215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.281215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.281215 (E_RNA)
where:
Base-Base interactions energy: -539.188
where: short stacking energy: -220.333
Base-Backbone interact. energy: -0.623
local terms energy: -230.470008
where:
bonds (distance) C4'-P energy: -48.881
bonds (distance) P-C4' energy: -48.011
flat angles C4'-P-C4' energy: -51.752
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -56.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -712.219834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.219834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.219834 (E_RNA)
where:
Base-Base interactions energy: -487.660
where: short stacking energy: -200.432
Base-Backbone interact. energy: -0.817
local terms energy: -223.742933
where:
bonds (distance) C4'-P energy: -51.755
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: -49.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -669.993264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.993264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.993264 (E_RNA)
where:
Base-Base interactions energy: -450.663
where: short stacking energy: -185.042
Base-Backbone interact. energy: -1.380
local terms energy: -217.950238
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -44.601
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: 11
Temperature: 1.350000
Total energy: -634.314256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.314256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.314256 (E_RNA)
where:
Base-Base interactions energy: -422.013
where: short stacking energy: -170.712
Base-Backbone interact. energy: 0.191
local terms energy: -212.492086
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -42.937
flat angles C4'-P-C4' energy: -56.825
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -39.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -963.286417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.286417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.286417 (E_RNA)
where:
Base-Base interactions energy: -692.707
where: short stacking energy: -278.286
Base-Backbone interact. energy: -0.286
local terms energy: -270.293979
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -54.017
flat angles C4'-P-C4' energy: -53.500
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -81.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -931.699111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.699111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.699111 (E_RNA)
where:
Base-Base interactions energy: -641.992
where: short stacking energy: -279.284
Base-Backbone interact. energy: -0.851
local terms energy: -288.856260
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -61.926
flat angles P-C4'-P energy: -37.521
tors. eta vs tors. theta energy: -82.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -885.738709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.738709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.738709 (E_RNA)
where:
Base-Base interactions energy: -615.373
where: short stacking energy: -251.217
Base-Backbone interact. energy: -0.176
local terms energy: -270.189253
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -46.973
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -40.585
tors. eta vs tors. theta energy: -79.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -904.606643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.606643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.606643 (E_RNA)
where:
Base-Base interactions energy: -628.529
where: short stacking energy: -272.208
Base-Backbone interact. energy: -1.916
local terms energy: -274.162498
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -60.728
flat angles P-C4'-P energy: -38.328
tors. eta vs tors. theta energy: -85.481
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: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -879.084456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.084456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.084456 (E_RNA)
where:
Base-Base interactions energy: -612.674
where: short stacking energy: -244.700
Base-Backbone interact. energy: -0.689
local terms energy: -265.721104
where:
bonds (distance) C4'-P energy: -49.610
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -68.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -867.198504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.198504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.198504 (E_RNA)
where:
Base-Base interactions energy: -606.513
where: short stacking energy: -248.811
Base-Backbone interact. energy: -1.975
local terms energy: -258.710768
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -49.608
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -79.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -775.425672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.425672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.425672 (E_RNA)
where:
Base-Base interactions energy: -540.015
where: short stacking energy: -220.517
Base-Backbone interact. energy: -0.575
local terms energy: -234.835102
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -62.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -715.622769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.622769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.622769 (E_RNA)
where:
Base-Base interactions energy: -474.130
where: short stacking energy: -203.860
Base-Backbone interact. energy: -2.009
local terms energy: -239.484135
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -49.894
flat angles C4'-P-C4' energy: -49.350
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -60.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -670.098352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.098352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.098352 (E_RNA)
where:
Base-Base interactions energy: -440.584
where: short stacking energy: -185.304
Base-Backbone interact. energy: -0.398
local terms energy: -229.116386
where:
bonds (distance) C4'-P energy: -45.730
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -55.538
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -52.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -637.950946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.950946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.950946 (E_RNA)
where:
Base-Base interactions energy: -455.322
where: short stacking energy: -179.288
Base-Backbone interact. energy: 0.124
local terms energy: -182.752809
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: -38.633
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: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -971.783542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.783542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.783542 (E_RNA)
where:
Base-Base interactions energy: -683.540
where: short stacking energy: -287.499
Base-Backbone interact. energy: 0.667
local terms energy: -288.910495
where:
bonds (distance) C4'-P energy: -52.459
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -56.540
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -82.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -926.377950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.377950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.377950 (E_RNA)
where:
Base-Base interactions energy: -640.465
where: short stacking energy: -279.227
Base-Backbone interact. energy: -1.792
local terms energy: -284.121508
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -55.769
flat angles P-C4'-P energy: -36.667
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -928.767149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.767149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.767149 (E_RNA)
where:
Base-Base interactions energy: -630.849
where: short stacking energy: -269.740
Base-Backbone interact. energy: -0.996
local terms energy: -296.922996
where:
bonds (distance) C4'-P energy: -51.482
bonds (distance) P-C4' energy: -48.975
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -90.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -898.353084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.353084 (E_RNA)
where:
Base-Base interactions energy: -619.703
where: short stacking energy: -253.092
Base-Backbone interact. energy: -1.184
local terms energy: -277.466272
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -62.633
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -77.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -860.320373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.320373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.320373 (E_RNA)
where:
Base-Base interactions energy: -609.686
where: short stacking energy: -243.870
Base-Backbone interact. energy: 0.174
local terms energy: -250.808609
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -46.144
flat angles C4'-P-C4' energy: -52.821
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -74.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -861.461333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.461333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.461333 (E_RNA)
where:
Base-Base interactions energy: -594.154
where: short stacking energy: -261.431
Base-Backbone interact. energy: -0.194
local terms energy: -267.112870
where:
bonds (distance) C4'-P energy: -37.047
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -54.379
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -83.538
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: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -781.793042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.793042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.793042 (E_RNA)
where:
Base-Base interactions energy: -538.183
where: short stacking energy: -227.927
Base-Backbone interact. energy: -0.774
local terms energy: -242.836440
where:
bonds (distance) C4'-P energy: -46.744
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -54.930
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: -60.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -679.671685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.671685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.671685 (E_RNA)
where:
Base-Base interactions energy: -463.388
where: short stacking energy: -207.624
Base-Backbone interact. energy: -0.706
local terms energy: -215.577917
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -44.779
flat angles C4'-P-C4' energy: -40.972
flat angles P-C4'-P energy: -28.721
tors. eta vs tors. theta energy: -57.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -673.537049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.537049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.537049 (E_RNA)
where:
Base-Base interactions energy: -474.276
where: short stacking energy: -196.950
Base-Backbone interact. energy: 0.474
local terms energy: -199.735263
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -43.144
flat angles C4'-P-C4' energy: -43.782
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: -52.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -601.869271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.869271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.869271 (E_RNA)
where:
Base-Base interactions energy: -404.310
where: short stacking energy: -169.441
Base-Backbone interact. energy: -0.894
local terms energy: -196.665553
where:
bonds (distance) C4'-P energy: -46.336
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -38.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -969.046290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.046290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.046290 (E_RNA)
where:
Base-Base interactions energy: -663.833
where: short stacking energy: -271.239
Base-Backbone interact. energy: -1.166
local terms energy: -304.047360
where:
bonds (distance) C4'-P energy: -55.736
bonds (distance) P-C4' energy: -54.845
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -85.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -943.966834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.966834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.966834 (E_RNA)
where:
Base-Base interactions energy: -654.907
where: short stacking energy: -272.908
Base-Backbone interact. energy: -1.483
local terms energy: -287.576177
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -67.767
flat angles P-C4'-P energy: -42.517
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: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -924.204485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.204485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.204485 (E_RNA)
where:
Base-Base interactions energy: -637.337
where: short stacking energy: -274.648
Base-Backbone interact. energy: -0.471
local terms energy: -286.396379
where:
bonds (distance) C4'-P energy: -41.933
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -39.422
tors. eta vs tors. theta energy: -88.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -885.584387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.584387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.584387 (E_RNA)
where:
Base-Base interactions energy: -611.872
where: short stacking energy: -257.644
Base-Backbone interact. energy: -0.191
local terms energy: -273.520966
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -49.016
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -81.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -889.656900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.656900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.656900 (E_RNA)
where:
Base-Base interactions energy: -613.082
where: short stacking energy: -250.346
Base-Backbone interact. energy: -1.280
local terms energy: -275.295581
where:
bonds (distance) C4'-P energy: -47.939
bonds (distance) P-C4' energy: -49.770
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -855.017808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.017808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.017808 (E_RNA)
where:
Base-Base interactions energy: -595.522
where: short stacking energy: -234.566
Base-Backbone interact. energy: -1.198
local terms energy: -258.297730
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -54.733
flat angles P-C4'-P energy: -38.953
tors. eta vs tors. theta energy: -71.691
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -754.439868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.439868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.439868 (E_RNA)
where:
Base-Base interactions energy: -516.019
where: short stacking energy: -228.865
Base-Backbone interact. energy: -0.303
local terms energy: -238.117696
where:
bonds (distance) C4'-P energy: -39.146
bonds (distance) P-C4' energy: -47.688
flat angles C4'-P-C4' energy: -53.050
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -67.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -697.210111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.210111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.210111 (E_RNA)
where:
Base-Base interactions energy: -471.329
where: short stacking energy: -185.731
Base-Backbone interact. energy: -1.361
local terms energy: -224.519775
where:
bonds (distance) C4'-P energy: -48.565
bonds (distance) P-C4' energy: -50.566
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -44.971
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: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -676.889502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.889502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.889502 (E_RNA)
where:
Base-Base interactions energy: -456.121
where: short stacking energy: -173.767
Base-Backbone interact. energy: -0.565
local terms energy: -220.203186
where:
bonds (distance) C4'-P energy: -50.616
bonds (distance) P-C4' energy: -39.973
flat angles C4'-P-C4' energy: -51.596
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -47.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -600.547824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.547824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.547824 (E_RNA)
where:
Base-Base interactions energy: -404.469
where: short stacking energy: -171.479
Base-Backbone interact. energy: -1.040
local terms energy: -195.039068
where:
bonds (distance) C4'-P energy: -41.035
bonds (distance) P-C4' energy: -47.246
flat angles C4'-P-C4' energy: -37.632
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -968.038883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.038883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.038883 (E_RNA)
where:
Base-Base interactions energy: -676.433
where: short stacking energy: -288.132
Base-Backbone interact. energy: -0.344
local terms energy: -291.262104
where:
bonds (distance) C4'-P energy: -52.512
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -55.809
flat angles P-C4'-P energy: -41.638
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: 15
Temperature: 0.950000
Total energy: -940.123911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.123911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.123911 (E_RNA)
where:
Base-Base interactions energy: -651.111
where: short stacking energy: -278.031
Base-Backbone interact. energy: -1.382
local terms energy: -287.631323
where:
bonds (distance) C4'-P energy: -50.733
bonds (distance) P-C4' energy: -49.094
flat angles C4'-P-C4' energy: -57.078
flat angles P-C4'-P energy: -41.991
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: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -924.381829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.381829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.381829 (E_RNA)
where:
Base-Base interactions energy: -640.057
where: short stacking energy: -261.333
Base-Backbone interact. energy: -0.579
local terms energy: -283.745123
where:
bonds (distance) C4'-P energy: -50.914
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -58.480
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -84.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -882.903443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.903443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.903443 (E_RNA)
where:
Base-Base interactions energy: -621.168
where: short stacking energy: -260.309
Base-Backbone interact. energy: -1.534
local terms energy: -260.201781
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -74.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -866.877405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.877405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.877405 (E_RNA)
where:
Base-Base interactions energy: -604.109
where: short stacking energy: -258.761
Base-Backbone interact. energy: -0.614
local terms energy: -262.155163
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -53.767
flat angles P-C4'-P energy: -37.233
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: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -845.364555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.364555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.364555 (E_RNA)
where:
Base-Base interactions energy: -576.212
where: short stacking energy: -248.345
Base-Backbone interact. energy: -1.641
local terms energy: -267.511287
where:
bonds (distance) C4'-P energy: -45.964
bonds (distance) P-C4' energy: -51.470
flat angles C4'-P-C4' energy: -54.454
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -79.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -789.151080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.151080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.151080 (E_RNA)
where:
Base-Base interactions energy: -544.721
where: short stacking energy: -246.403
Base-Backbone interact. energy: -0.847
local terms energy: -243.582969
where:
bonds (distance) C4'-P energy: -40.105
bonds (distance) P-C4' energy: -48.708
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -29.764
tors. eta vs tors. theta energy: -71.941
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: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -695.910683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.910683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.910683 (E_RNA)
where:
Base-Base interactions energy: -460.106
where: short stacking energy: -188.321
Base-Backbone interact. energy: -1.171
local terms energy: -234.633996
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -54.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -649.469732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.469732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.469732 (E_RNA)
where:
Base-Base interactions energy: -437.737
where: short stacking energy: -174.558
Base-Backbone interact. energy: -1.162
local terms energy: -210.570490
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -48.580
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -35.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -587.478603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.478603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.478603 (E_RNA)
where:
Base-Base interactions energy: -391.002
where: short stacking energy: -161.972
Base-Backbone interact. energy: -0.645
local terms energy: -195.831201
where:
bonds (distance) C4'-P energy: -39.178
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -43.541
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: 16
Temperature: 0.900000
Total energy: -974.995698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.995698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.995698 (E_RNA)
where:
Base-Base interactions energy: -676.305
where: short stacking energy: -286.694
Base-Backbone interact. energy: -0.310
local terms energy: -298.380462
where:
bonds (distance) C4'-P energy: -58.853
bonds (distance) P-C4' energy: -53.951
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: -89.911
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -937.003406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.003406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.003406 (E_RNA)
where:
Base-Base interactions energy: -665.039
where: short stacking energy: -285.210
Base-Backbone interact. energy: -0.426
local terms energy: -271.538216
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -57.944
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -83.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -902.923746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.923746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.923746 (E_RNA)
where:
Base-Base interactions energy: -622.691
where: short stacking energy: -253.039
Base-Backbone interact. energy: -1.774
local terms energy: -278.459362
where:
bonds (distance) C4'-P energy: -49.912
bonds (distance) P-C4' energy: -55.724
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -32.388
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: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -901.051409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.051409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.051409 (E_RNA)
where:
Base-Base interactions energy: -625.112
where: short stacking energy: -261.461
Base-Backbone interact. energy: -0.150
local terms energy: -275.789319
where:
bonds (distance) C4'-P energy: -51.725
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -52.901
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -80.583
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: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -878.631487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.631487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.631487 (E_RNA)
where:
Base-Base interactions energy: -590.316
where: short stacking energy: -244.858
Base-Backbone interact. energy: -0.249
local terms energy: -288.066276
where:
bonds (distance) C4'-P energy: -52.240
bonds (distance) P-C4' energy: -58.686
flat angles C4'-P-C4' energy: -57.643
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -80.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -835.644257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.644257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.644257 (E_RNA)
where:
Base-Base interactions energy: -569.153
where: short stacking energy: -244.591
Base-Backbone interact. energy: -1.002
local terms energy: -265.489697
where:
bonds (distance) C4'-P energy: -49.759
bonds (distance) P-C4' energy: -51.671
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -39.336
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: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -735.412800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.412800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.412800 (E_RNA)
where:
Base-Base interactions energy: -519.056
where: short stacking energy: -212.595
Base-Backbone interact. energy: -0.383
local terms energy: -215.973826
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -40.409
flat angles P-C4'-P energy: -34.771
tors. eta vs tors. theta energy: -51.290
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: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -745.551952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.551952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.551952 (E_RNA)
where:
Base-Base interactions energy: -514.642
where: short stacking energy: -220.410
Base-Backbone interact. energy: -0.180
local terms energy: -230.729574
where:
bonds (distance) C4'-P energy: -42.388
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -66.162
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: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -617.867716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.867716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.867716 (E_RNA)
where:
Base-Base interactions energy: -402.987
where: short stacking energy: -184.774
Base-Backbone interact. energy: 0.162
local terms energy: -215.041990
where:
bonds (distance) C4'-P energy: -38.875
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -50.986
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: 16
Temperature: 1.350000
Total energy: -604.105622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.105622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.105622 (E_RNA)
where:
Base-Base interactions energy: -407.112
where: short stacking energy: -169.472
Base-Backbone interact. energy: -1.333
local terms energy: -195.660522
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -46.408
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -36.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -968.492177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.492177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.492177 (E_RNA)
where:
Base-Base interactions energy: -659.802
where: short stacking energy: -278.944
Base-Backbone interact. energy: -0.509
local terms energy: -308.180995
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -48.602
tors. eta vs tors. theta energy: -88.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -927.937746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.937746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.937746 (E_RNA)
where:
Base-Base interactions energy: -639.136
where: short stacking energy: -252.954
Base-Backbone interact. energy: -0.297
local terms energy: -288.504515
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -53.561
flat angles C4'-P-C4' energy: -58.274
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -81.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -936.512643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.512643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.512643 (E_RNA)
where:
Base-Base interactions energy: -654.259
where: short stacking energy: -282.541
Base-Backbone interact. energy: -0.156
local terms energy: -282.097508
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -47.392
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -32.541
tors. eta vs tors. theta energy: -91.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -885.387265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.387265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.387265 (E_RNA)
where:
Base-Base interactions energy: -603.206
where: short stacking energy: -259.793
Base-Backbone interact. energy: -1.809
local terms energy: -280.372044
where:
bonds (distance) C4'-P energy: -53.965
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -36.056
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: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -893.565299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.565299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.565299 (E_RNA)
where:
Base-Base interactions energy: -630.638
where: short stacking energy: -250.793
Base-Backbone interact. energy: 1.181
local terms energy: -264.108119
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -49.537
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -76.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -842.244178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.244178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.244178 (E_RNA)
where:
Base-Base interactions energy: -567.625
where: short stacking energy: -235.685
Base-Backbone interact. energy: -1.043
local terms energy: -273.576141
where:
bonds (distance) C4'-P energy: -46.644
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -60.441
flat angles P-C4'-P energy: -39.926
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -723.265128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.265128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.265128 (E_RNA)
where:
Base-Base interactions energy: -494.935
where: short stacking energy: -204.389
Base-Backbone interact. energy: -1.009
local terms energy: -227.320871
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -47.590
flat angles C4'-P-C4' energy: -56.257
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -56.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -747.367436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.367436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.367436 (E_RNA)
where:
Base-Base interactions energy: -500.084
where: short stacking energy: -227.091
Base-Backbone interact. energy: -1.362
local terms energy: -245.921944
where:
bonds (distance) C4'-P energy: -43.706
bonds (distance) P-C4' energy: -53.958
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -63.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -605.423913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.423913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.423913 (E_RNA)
where:
Base-Base interactions energy: -417.172
where: short stacking energy: -179.374
Base-Backbone interact. energy: 4.799
local terms energy: -193.050715
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -49.088
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -32.406
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -643.881171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.881171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.881171 (E_RNA)
where:
Base-Base interactions energy: -415.151
where: short stacking energy: -170.223
Base-Backbone interact. energy: -1.046
local terms energy: -227.683974
where:
bonds (distance) C4'-P energy: -47.681
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -45.057
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -44.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -976.865493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.865493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.865493 (E_RNA)
where:
Base-Base interactions energy: -676.847
where: short stacking energy: -292.078
Base-Backbone interact. energy: -1.358
local terms energy: -298.660772
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -62.781
flat angles P-C4'-P energy: -45.414
tors. eta vs tors. theta energy: -91.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -940.450812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.450812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.450812 (E_RNA)
where:
Base-Base interactions energy: -652.252
where: short stacking energy: -291.988
Base-Backbone interact. energy: -1.604
local terms energy: -286.594620
where:
bonds (distance) C4'-P energy: -48.514
bonds (distance) P-C4' energy: -47.269
flat angles C4'-P-C4' energy: -60.750
flat angles P-C4'-P energy: -38.056
tors. eta vs tors. theta energy: -92.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -933.847463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.847463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.847463 (E_RNA)
where:
Base-Base interactions energy: -631.492
where: short stacking energy: -271.895
Base-Backbone interact. energy: -0.589
local terms energy: -301.766435
where:
bonds (distance) C4'-P energy: -50.266
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -44.897
tors. eta vs tors. theta energy: -85.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -901.898984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.898984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.898984 (E_RNA)
where:
Base-Base interactions energy: -623.627
where: short stacking energy: -259.638
Base-Backbone interact. energy: -1.985
local terms energy: -276.286080
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -50.722
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -77.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -863.291011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.291011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.291011 (E_RNA)
where:
Base-Base interactions energy: -599.945
where: short stacking energy: -247.806
Base-Backbone interact. energy: -0.493
local terms energy: -262.853166
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -78.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -819.583232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.583232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.583232 (E_RNA)
where:
Base-Base interactions energy: -559.198
where: short stacking energy: -227.378
Base-Backbone interact. energy: -0.438
local terms energy: -259.947456
where:
bonds (distance) C4'-P energy: -54.502
bonds (distance) P-C4' energy: -47.394
flat angles C4'-P-C4' energy: -53.702
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -71.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -794.181049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.181049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.181049 (E_RNA)
where:
Base-Base interactions energy: -531.309
where: short stacking energy: -224.353
Base-Backbone interact. energy: -1.134
local terms energy: -261.737927
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -66.737
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: 18
Temperature: 1.250000
Total energy: -717.200531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.200531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.200531 (E_RNA)
where:
Base-Base interactions energy: -486.300
where: short stacking energy: -216.556
Base-Backbone interact. energy: -1.614
local terms energy: -229.285870
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -50.879
flat angles C4'-P-C4' energy: -41.873
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -55.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -642.298663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.298663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.298663 (E_RNA)
where:
Base-Base interactions energy: -440.231
where: short stacking energy: -169.855
Base-Backbone interact. energy: 0.075
local terms energy: -202.142333
where:
bonds (distance) C4'-P energy: -35.912
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -50.677
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -40.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -592.861166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.861166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.861166 (E_RNA)
where:
Base-Base interactions energy: -396.003
where: short stacking energy: -169.619
Base-Backbone interact. energy: -0.358
local terms energy: -196.499905
where:
bonds (distance) C4'-P energy: -43.599
bonds (distance) P-C4' energy: -48.899
flat angles C4'-P-C4' energy: -44.397
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -31.063
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: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -968.478974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.478974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.478974 (E_RNA)
where:
Base-Base interactions energy: -657.271
where: short stacking energy: -287.744
Base-Backbone interact. energy: -1.096
local terms energy: -310.112461
where:
bonds (distance) C4'-P energy: -55.547
bonds (distance) P-C4' energy: -56.290
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -46.068
tors. eta vs tors. theta energy: -91.606
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: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -937.994654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.994654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.994654 (E_RNA)
where:
Base-Base interactions energy: -651.819
where: short stacking energy: -274.417
Base-Backbone interact. energy: -0.827
local terms energy: -285.349032
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -52.113
flat angles C4'-P-C4' energy: -61.389
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -84.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -918.633971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.633971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.633971 (E_RNA)
where:
Base-Base interactions energy: -644.553
where: short stacking energy: -260.808
Base-Backbone interact. energy: -1.815
local terms energy: -272.265796
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -48.301
flat angles C4'-P-C4' energy: -54.730
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -84.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -897.407189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.407189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.407189 (E_RNA)
where:
Base-Base interactions energy: -632.024
where: short stacking energy: -270.244
Base-Backbone interact. energy: 0.673
local terms energy: -266.055698
where:
bonds (distance) C4'-P energy: -41.827
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -62.080
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -82.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -861.515917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.515917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.515917 (E_RNA)
where:
Base-Base interactions energy: -606.449
where: short stacking energy: -235.830
Base-Backbone interact. energy: -1.284
local terms energy: -253.782345
where:
bonds (distance) C4'-P energy: -38.967
bonds (distance) P-C4' energy: -52.711
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -34.988
tors. eta vs tors. theta energy: -77.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -825.444048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.444048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.444048 (E_RNA)
where:
Base-Base interactions energy: -569.308
where: short stacking energy: -233.127
Base-Backbone interact. energy: -1.298
local terms energy: -254.838803
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -42.617
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: -74.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -752.042883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.042883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.042883 (E_RNA)
where:
Base-Base interactions energy: -505.642
where: short stacking energy: -213.695
Base-Backbone interact. energy: 1.171
local terms energy: -247.571677
where:
bonds (distance) C4'-P energy: -52.015
bonds (distance) P-C4' energy: -53.291
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -33.758
tors. eta vs tors. theta energy: -66.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -710.423985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.423985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.423985 (E_RNA)
where:
Base-Base interactions energy: -491.593
where: short stacking energy: -205.847
Base-Backbone interact. energy: 0.730
local terms energy: -219.561976
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -50.354
flat angles C4'-P-C4' energy: -48.302
flat angles P-C4'-P energy: -28.913
tors. eta vs tors. theta energy: -53.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -627.270105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.270105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.270105 (E_RNA)
where:
Base-Base interactions energy: -416.300
where: short stacking energy: -168.707
Base-Backbone interact. energy: 1.521
local terms energy: -212.491658
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -44.474
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -597.737687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.737687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.737687 (E_RNA)
where:
Base-Base interactions energy: -382.941
where: short stacking energy: -164.289
Base-Backbone interact. energy: -0.638
local terms energy: -214.159025
where:
bonds (distance) C4'-P energy: -39.039
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -48.800
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: -40.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -974.355472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.355472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.355472 (E_RNA)
where:
Base-Base interactions energy: -659.633
where: short stacking energy: -280.205
Base-Backbone interact. energy: -2.051
local terms energy: -312.671889
where:
bonds (distance) C4'-P energy: -58.661
bonds (distance) P-C4' energy: -56.491
flat angles C4'-P-C4' energy: -62.939
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -90.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -931.640179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.640179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.640179 (E_RNA)
where:
Base-Base interactions energy: -635.390
where: short stacking energy: -279.655
Base-Backbone interact. energy: -1.606
local terms energy: -294.643899
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -50.966
flat angles C4'-P-C4' energy: -66.926
flat angles P-C4'-P energy: -44.383
tors. eta vs tors. theta energy: -84.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -937.455846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.455846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.455846 (E_RNA)
where:
Base-Base interactions energy: -662.899
where: short stacking energy: -274.385
Base-Backbone interact. energy: 0.432
local terms energy: -274.989092
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -49.760
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -43.407
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: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -871.925584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.925584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.925584 (E_RNA)
where:
Base-Base interactions energy: -596.259
where: short stacking energy: -246.577
Base-Backbone interact. energy: -1.418
local terms energy: -274.248940
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -47.899
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -75.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -871.521417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.521417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.521417 (E_RNA)
where:
Base-Base interactions energy: -604.993
where: short stacking energy: -246.852
Base-Backbone interact. energy: -0.533
local terms energy: -265.995202
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -56.154
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -76.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -803.027138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.027138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.027138 (E_RNA)
where:
Base-Base interactions energy: -559.303
where: short stacking energy: -237.223
Base-Backbone interact. energy: -1.034
local terms energy: -242.690741
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -54.138
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -29.949
tors. eta vs tors. theta energy: -64.370
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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -730.568951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.568951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.568951 (E_RNA)
where:
Base-Base interactions energy: -512.448
where: short stacking energy: -205.496
Base-Backbone interact. energy: 2.010
local terms energy: -220.130502
where:
bonds (distance) C4'-P energy: -50.557
bonds (distance) P-C4' energy: -40.571
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -49.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -735.216351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.216351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.216351 (E_RNA)
where:
Base-Base interactions energy: -490.828
where: short stacking energy: -212.581
Base-Backbone interact. energy: -1.613
local terms energy: -242.775335
where:
bonds (distance) C4'-P energy: -52.606
bonds (distance) P-C4' energy: -45.564
flat angles C4'-P-C4' energy: -51.251
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -63.237
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: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -660.550786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.550786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.550786 (E_RNA)
where:
Base-Base interactions energy: -441.837
where: short stacking energy: -178.237
Base-Backbone interact. energy: -1.151
local terms energy: -217.563029
where:
bonds (distance) C4'-P energy: -42.192
bonds (distance) P-C4' energy: -54.250
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -45.893
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: 20
Temperature: 1.350000
Total energy: -568.800107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.800107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.800107 (E_RNA)
where:
Base-Base interactions energy: -376.902
where: short stacking energy: -151.981
Base-Backbone interact. energy: -0.850
local terms energy: -191.048793
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -47.467
flat angles C4'-P-C4' energy: -42.635
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -29.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -983.642394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.642394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.642394 (E_RNA)
where:
Base-Base interactions energy: -676.853
where: short stacking energy: -292.927
Base-Backbone interact. energy: -1.126
local terms energy: -305.663884
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -46.313
tors. eta vs tors. theta energy: -92.799
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -935.697873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.697873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.697873 (E_RNA)
where:
Base-Base interactions energy: -654.704
where: short stacking energy: -275.611
Base-Backbone interact. energy: -0.685
local terms energy: -280.308909
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -49.219
flat angles C4'-P-C4' energy: -61.823
flat angles P-C4'-P energy: -43.246
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: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -920.991847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.991847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.991847 (E_RNA)
where:
Base-Base interactions energy: -645.878
where: short stacking energy: -274.838
Base-Backbone interact. energy: -0.765
local terms energy: -274.348723
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -86.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -862.517800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.517800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.517800 (E_RNA)
where:
Base-Base interactions energy: -612.862
where: short stacking energy: -261.037
Base-Backbone interact. energy: -1.274
local terms energy: -248.381833
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -52.787
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -75.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -861.832314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.832314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.832314 (E_RNA)
where:
Base-Base interactions energy: -592.790
where: short stacking energy: -233.890
Base-Backbone interact. energy: -1.578
local terms energy: -267.465170
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -59.284
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -69.723
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: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -792.045261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.045261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.045261 (E_RNA)
where:
Base-Base interactions energy: -540.293
where: short stacking energy: -206.219
Base-Backbone interact. energy: -1.146
local terms energy: -250.606533
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -40.859
flat angles C4'-P-C4' energy: -58.236
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -65.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -700.571205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.571205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.571205 (E_RNA)
where:
Base-Base interactions energy: -469.281
where: short stacking energy: -197.605
Base-Backbone interact. energy: -0.530
local terms energy: -230.760284
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -50.405
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: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -720.846062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.846062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.846062 (E_RNA)
where:
Base-Base interactions energy: -490.105
where: short stacking energy: -209.585
Base-Backbone interact. energy: 0.845
local terms energy: -231.585763
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -48.593
flat angles P-C4'-P energy: -29.280
tors. eta vs tors. theta energy: -58.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -658.498155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.498155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.498155 (E_RNA)
where:
Base-Base interactions energy: -432.310
where: short stacking energy: -188.690
Base-Backbone interact. energy: -0.134
local terms energy: -226.054388
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -44.681
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -54.539
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: 21
Temperature: 1.350000
Total energy: -536.725600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.725600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.725600 (E_RNA)
where:
Base-Base interactions energy: -350.044
where: short stacking energy: -139.974
Base-Backbone interact. energy: -0.913
local terms energy: -185.768434
where:
bonds (distance) C4'-P energy: -48.108
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -28.935
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: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -976.335313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.335313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.335313 (E_RNA)
where:
Base-Base interactions energy: -673.879
where: short stacking energy: -289.370
Base-Backbone interact. energy: 0.834
local terms energy: -303.290804
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -55.913
flat angles C4'-P-C4' energy: -58.172
flat angles P-C4'-P energy: -45.906
tors. eta vs tors. theta energy: -85.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -932.687153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.687153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.687153 (E_RNA)
where:
Base-Base interactions energy: -633.519
where: short stacking energy: -269.307
Base-Backbone interact. energy: -1.996
local terms energy: -297.171279
where:
bonds (distance) C4'-P energy: -57.300
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -57.526
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -85.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -934.327805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.327805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.327805 (E_RNA)
where:
Base-Base interactions energy: -641.625
where: short stacking energy: -264.195
Base-Backbone interact. energy: -0.731
local terms energy: -291.971953
where:
bonds (distance) C4'-P energy: -55.533
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -35.357
tors. eta vs tors. theta energy: -85.849
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: 22
Temperature: 1.050000
Total energy: -900.532229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.532229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.532229 (E_RNA)
where:
Base-Base interactions energy: -629.609
where: short stacking energy: -273.587
Base-Backbone interact. energy: -0.539
local terms energy: -270.384075
where:
bonds (distance) C4'-P energy: -33.800
bonds (distance) P-C4' energy: -52.471
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -45.796
tors. eta vs tors. theta energy: -83.980
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: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -874.931291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.931291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.931291 (E_RNA)
where:
Base-Base interactions energy: -615.832
where: short stacking energy: -248.518
Base-Backbone interact. energy: -0.573
local terms energy: -258.526094
where:
bonds (distance) C4'-P energy: -47.488
bonds (distance) P-C4' energy: -57.010
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -78.217
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: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -806.794334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.794334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.794334 (E_RNA)
where:
Base-Base interactions energy: -546.911
where: short stacking energy: -226.541
Base-Backbone interact. energy: -1.314
local terms energy: -258.569412
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -41.714
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -38.987
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -763.211986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.211986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.211986 (E_RNA)
where:
Base-Base interactions energy: -518.037
where: short stacking energy: -233.072
Base-Backbone interact. energy: -0.076
local terms energy: -245.099372
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -48.563
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -62.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -685.646333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.646333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.646333 (E_RNA)
where:
Base-Base interactions energy: -467.442
where: short stacking energy: -188.447
Base-Backbone interact. energy: -1.125
local terms energy: -217.079057
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -52.328
flat angles P-C4'-P energy: -31.360
tors. eta vs tors. theta energy: -53.368
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: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -626.883525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.883525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.883525 (E_RNA)
where:
Base-Base interactions energy: -418.084
where: short stacking energy: -164.993
Base-Backbone interact. energy: -2.267
local terms energy: -206.532990
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -47.496
flat angles C4'-P-C4' energy: -48.258
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -43.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -469.491804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.491804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.491804 (E_RNA)
where:
Base-Base interactions energy: -287.921
where: short stacking energy: -135.720
Base-Backbone interact. energy: -1.308
local terms energy: -180.262325
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -33.077
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -21.722
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: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -975.242774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.242774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.242774 (E_RNA)
where:
Base-Base interactions energy: -681.562
where: short stacking energy: -297.671
Base-Backbone interact. energy: -0.554
local terms energy: -293.126138
where:
bonds (distance) C4'-P energy: -51.348
bonds (distance) P-C4' energy: -58.942
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -89.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -954.594313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.594313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.594313 (E_RNA)
where:
Base-Base interactions energy: -655.253
where: short stacking energy: -283.919
Base-Backbone interact. energy: -0.691
local terms energy: -298.650199
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -60.885
flat angles C4'-P-C4' energy: -58.639
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -87.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -922.902701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.902701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.902701 (E_RNA)
where:
Base-Base interactions energy: -640.348
where: short stacking energy: -272.475
Base-Backbone interact. energy: -1.879
local terms energy: -280.675155
where:
bonds (distance) C4'-P energy: -44.028
bonds (distance) P-C4' energy: -50.623
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -85.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -886.962922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.962922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.962922 (E_RNA)
where:
Base-Base interactions energy: -627.687
where: short stacking energy: -265.052
Base-Backbone interact. energy: -0.539
local terms energy: -258.736962
where:
bonds (distance) C4'-P energy: -48.934
bonds (distance) P-C4' energy: -44.680
flat angles C4'-P-C4' energy: -50.063
flat angles P-C4'-P energy: -38.161
tors. eta vs tors. theta energy: -76.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -882.390094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.390094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.390094 (E_RNA)
where:
Base-Base interactions energy: -629.988
where: short stacking energy: -249.222
Base-Backbone interact. energy: -1.668
local terms energy: -250.734085
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -47.873
flat angles P-C4'-P energy: -37.274
tors. eta vs tors. theta energy: -76.643
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: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -792.633325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.633325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.633325 (E_RNA)
where:
Base-Base interactions energy: -540.613
where: short stacking energy: -220.353
Base-Backbone interact. energy: -0.657
local terms energy: -251.362963
where:
bonds (distance) C4'-P energy: -49.345
bonds (distance) P-C4' energy: -49.587
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -65.347
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: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -747.617822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.617822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.617822 (E_RNA)
where:
Base-Base interactions energy: -511.750
where: short stacking energy: -214.926
Base-Backbone interact. energy: -0.330
local terms energy: -235.537939
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -48.125
flat angles C4'-P-C4' energy: -52.274
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -59.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -620.070505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.070505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.070505 (E_RNA)
where:
Base-Base interactions energy: -408.957
where: short stacking energy: -177.621
Base-Backbone interact. energy: -0.533
local terms energy: -210.580532
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -50.593
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -42.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -586.165226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.165226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.165226 (E_RNA)
where:
Base-Base interactions energy: -370.949
where: short stacking energy: -151.267
Base-Backbone interact. energy: 1.170
local terms energy: -216.386024
where:
bonds (distance) C4'-P energy: -52.827
bonds (distance) P-C4' energy: -51.176
flat angles C4'-P-C4' energy: -38.960
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -43.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -436.122097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.122097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.122097 (E_RNA)
where:
Base-Base interactions energy: -262.281
where: short stacking energy: -118.336
Base-Backbone interact. energy: -1.793
local terms energy: -172.047775
where:
bonds (distance) C4'-P energy: -41.786
bonds (distance) P-C4' energy: -49.215
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -23.061
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: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -990.933625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.933625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.933625 (E_RNA)
where:
Base-Base interactions energy: -687.231
where: short stacking energy: -299.494
Base-Backbone interact. energy: -1.281
local terms energy: -302.422110
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -62.839
flat angles P-C4'-P energy: -38.482
tors. eta vs tors. theta energy: -91.324
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: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -947.489331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.489331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.489331 (E_RNA)
where:
Base-Base interactions energy: -656.487
where: short stacking energy: -279.050
Base-Backbone interact. energy: -0.465
local terms energy: -290.536717
where:
bonds (distance) C4'-P energy: -50.536
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -61.661
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: -88.997
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -930.002376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.002376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.002376 (E_RNA)
where:
Base-Base interactions energy: -651.103
where: short stacking energy: -279.374
Base-Backbone interact. energy: 0.657
local terms energy: -279.557221
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -81.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -899.745510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.745510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.745510 (E_RNA)
where:
Base-Base interactions energy: -626.832
where: short stacking energy: -282.716
Base-Backbone interact. energy: -0.420
local terms energy: -272.493018
where:
bonds (distance) C4'-P energy: -42.242
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -34.980
tors. eta vs tors. theta energy: -83.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -892.849783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.849783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.849783 (E_RNA)
where:
Base-Base interactions energy: -627.284
where: short stacking energy: -262.513
Base-Backbone interact. energy: 1.705
local terms energy: -267.271330
where:
bonds (distance) C4'-P energy: -49.032
bonds (distance) P-C4' energy: -52.853
flat angles C4'-P-C4' energy: -52.599
flat angles P-C4'-P energy: -31.782
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: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -804.310873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.310873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.310873 (E_RNA)
where:
Base-Base interactions energy: -556.011
where: short stacking energy: -226.482
Base-Backbone interact. energy: -0.683
local terms energy: -247.616756
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -55.070
flat angles P-C4'-P energy: -38.344
tors. eta vs tors. theta energy: -53.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -714.905122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.905122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.905122 (E_RNA)
where:
Base-Base interactions energy: -480.822
where: short stacking energy: -211.531
Base-Backbone interact. energy: -0.920
local terms energy: -233.163543
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -54.130
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -56.488
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: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -570.526252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.526252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.526252 (E_RNA)
where:
Base-Base interactions energy: -379.077
where: short stacking energy: -173.764
Base-Backbone interact. energy: -1.102
local terms energy: -190.347571
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -41.761
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -30.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -578.432607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.432607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.432607 (E_RNA)
where:
Base-Base interactions energy: -373.951
where: short stacking energy: -161.478
Base-Backbone interact. energy: -1.492
local terms energy: -202.989374
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -31.098
tors. eta vs tors. theta energy: -40.109
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: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -413.878651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.878651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.878651 (E_RNA)
where:
Base-Base interactions energy: -235.775
where: short stacking energy: -97.504
Base-Backbone interact. energy: -0.816
local terms energy: -177.287388
where:
bonds (distance) C4'-P energy: -45.340
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -970.506599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.506599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.506599 (E_RNA)
where:
Base-Base interactions energy: -679.673
where: short stacking energy: -287.035
Base-Backbone interact. energy: 1.102
local terms energy: -291.936208
where:
bonds (distance) C4'-P energy: -47.191
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -62.153
flat angles P-C4'-P energy: -44.095
tors. eta vs tors. theta energy: -85.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -945.476253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.476253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.476253 (E_RNA)
where:
Base-Base interactions energy: -664.638
where: short stacking energy: -285.381
Base-Backbone interact. energy: -1.049
local terms energy: -279.789131
where:
bonds (distance) C4'-P energy: -41.745
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -92.142
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: 25
Temperature: 1.000000
Total energy: -902.403410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.403410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.403410 (E_RNA)
where:
Base-Base interactions energy: -620.729
where: short stacking energy: -276.526
Base-Backbone interact. energy: -0.609
local terms energy: -281.065964
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -45.462
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -85.370
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: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -898.520538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.520538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.520538 (E_RNA)
where:
Base-Base interactions energy: -629.384
where: short stacking energy: -255.938
Base-Backbone interact. energy: 2.764
local terms energy: -271.900131
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -55.462
flat angles C4'-P-C4' energy: -58.489
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -76.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -871.988227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.988227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.988227 (E_RNA)
where:
Base-Base interactions energy: -602.684
where: short stacking energy: -253.480
Base-Backbone interact. energy: -0.067
local terms energy: -269.237104
where:
bonds (distance) C4'-P energy: -47.332
bonds (distance) P-C4' energy: -44.386
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -85.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -782.951183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.951183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.951183 (E_RNA)
where:
Base-Base interactions energy: -545.462
where: short stacking energy: -217.244
Base-Backbone interact. energy: -1.299
local terms energy: -236.191036
where:
bonds (distance) C4'-P energy: -48.232
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -46.128
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -56.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -715.495608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.495608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.495608 (E_RNA)
where:
Base-Base interactions energy: -502.119
where: short stacking energy: -205.973
Base-Backbone interact. energy: 0.121
local terms energy: -213.497616
where:
bonds (distance) C4'-P energy: -37.663
bonds (distance) P-C4' energy: -45.342
flat angles C4'-P-C4' energy: -54.902
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -583.947759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.947759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.947759 (E_RNA)
where:
Base-Base interactions energy: -396.871
where: short stacking energy: -172.229
Base-Backbone interact. energy: 0.901
local terms energy: -187.977267
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -49.604
flat angles P-C4'-P energy: -31.944
tors. eta vs tors. theta energy: -30.266
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: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -572.357982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.357982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.357982 (E_RNA)
where:
Base-Base interactions energy: -371.706
where: short stacking energy: -148.942
Base-Backbone interact. energy: 0.161
local terms energy: -200.812639
where:
bonds (distance) C4'-P energy: -59.091
bonds (distance) P-C4' energy: -38.301
flat angles C4'-P-C4' energy: -44.762
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -407.102353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.102353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.102353 (E_RNA)
where:
Base-Base interactions energy: -236.695
where: short stacking energy: -120.540
Base-Backbone interact. energy: 0.305
local terms energy: -170.712563
where:
bonds (distance) C4'-P energy: -51.797
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -24.404
tors. eta vs tors. theta energy: -16.229
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: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -972.958798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.958798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.958798 (E_RNA)
where:
Base-Base interactions energy: -677.058
where: short stacking energy: -271.474
Base-Backbone interact. energy: 0.148
local terms energy: -296.048639
where:
bonds (distance) C4'-P energy: -54.744
bonds (distance) P-C4' energy: -48.982
flat angles C4'-P-C4' energy: -62.854
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: -83.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -957.945840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.945840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.945840 (E_RNA)
where:
Base-Base interactions energy: -662.915
where: short stacking energy: -285.772
Base-Backbone interact. energy: -1.464
local terms energy: -293.566540
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -90.767
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -911.222240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.222240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.222240 (E_RNA)
where:
Base-Base interactions energy: -640.160
where: short stacking energy: -267.326
Base-Backbone interact. energy: 0.360
local terms energy: -271.422219
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -53.605
flat angles C4'-P-C4' energy: -52.539
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -82.373
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: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -903.431553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.431553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.431553 (E_RNA)
where:
Base-Base interactions energy: -637.514
where: short stacking energy: -273.492
Base-Backbone interact. energy: -0.578
local terms energy: -265.339822
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -44.319
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -80.738
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: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -867.234570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.234570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.234570 (E_RNA)
where:
Base-Base interactions energy: -603.798
where: short stacking energy: -254.363
Base-Backbone interact. energy: 0.392
local terms energy: -263.829169
where:
bonds (distance) C4'-P energy: -49.245
bonds (distance) P-C4' energy: -34.844
flat angles C4'-P-C4' energy: -63.004
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -78.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -808.616421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.616421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.616421 (E_RNA)
where:
Base-Base interactions energy: -551.766
where: short stacking energy: -231.285
Base-Backbone interact. energy: -0.881
local terms energy: -255.968610
where:
bonds (distance) C4'-P energy: -51.316
bonds (distance) P-C4' energy: -50.635
flat angles C4'-P-C4' energy: -50.358
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -65.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -733.033585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.033585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.033585 (E_RNA)
where:
Base-Base interactions energy: -501.015
where: short stacking energy: -201.188
Base-Backbone interact. energy: -1.903
local terms energy: -230.116455
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -50.049
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -54.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -594.363394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.363394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.363394 (E_RNA)
where:
Base-Base interactions energy: -405.899
where: short stacking energy: -168.225
Base-Backbone interact. energy: -1.134
local terms energy: -187.330620
where:
bonds (distance) C4'-P energy: -38.575
bonds (distance) P-C4' energy: -38.826
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -34.217
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: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -656.965797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.965797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.965797 (E_RNA)
where:
Base-Base interactions energy: -434.937
where: short stacking energy: -173.749
Base-Backbone interact. energy: 0.675
local terms energy: -222.703762
where:
bonds (distance) C4'-P energy: -53.432
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -52.927
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -37.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -415.339114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.339114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.339114 (E_RNA)
where:
Base-Base interactions energy: -243.657
where: short stacking energy: -109.196
Base-Backbone interact. energy: 5.991
local terms energy: -177.672443
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -43.488
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -974.220352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.220352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.220352 (E_RNA)
where:
Base-Base interactions energy: -690.110
where: short stacking energy: -289.221
Base-Backbone interact. energy: -0.944
local terms energy: -283.166410
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -44.655
tors. eta vs tors. theta energy: -84.258
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: 27
Temperature: 0.950000
Total energy: -940.008522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.008522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.008522 (E_RNA)
where:
Base-Base interactions energy: -644.116
where: short stacking energy: -269.395
Base-Backbone interact. energy: -1.295
local terms energy: -294.597169
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -57.195
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -87.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -938.774986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.774986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.774986 (E_RNA)
where:
Base-Base interactions energy: -640.767
where: short stacking energy: -274.983
Base-Backbone interact. energy: 0.712
local terms energy: -298.719671
where:
bonds (distance) C4'-P energy: -52.908
bonds (distance) P-C4' energy: -54.875
flat angles C4'-P-C4' energy: -61.451
flat angles P-C4'-P energy: -41.122
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: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -897.869395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.869395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.869395 (E_RNA)
where:
Base-Base interactions energy: -625.797
where: short stacking energy: -261.429
Base-Backbone interact. energy: 0.975
local terms energy: -273.047492
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -55.926
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -81.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -851.616075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.616075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.616075 (E_RNA)
where:
Base-Base interactions energy: -576.925
where: short stacking energy: -224.373
Base-Backbone interact. energy: -0.894
local terms energy: -273.796860
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -56.379
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -65.345
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -769.399099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.399099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.399099 (E_RNA)
where:
Base-Base interactions energy: -528.583
where: short stacking energy: -210.272
Base-Backbone interact. energy: 0.328
local terms energy: -241.143689
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -49.684
flat angles C4'-P-C4' energy: -46.749
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -53.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -717.855498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.855498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.855498 (E_RNA)
where:
Base-Base interactions energy: -486.541
where: short stacking energy: -206.452
Base-Backbone interact. energy: -0.896
local terms energy: -230.417610
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -57.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -677.772910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.772910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.772910 (E_RNA)
where:
Base-Base interactions energy: -464.587
where: short stacking energy: -198.363
Base-Backbone interact. energy: 0.845
local terms energy: -214.030917
where:
bonds (distance) C4'-P energy: -37.084
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -45.330
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -52.523
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: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -567.704674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.704674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.704674 (E_RNA)
where:
Base-Base interactions energy: -382.841
where: short stacking energy: -166.917
Base-Backbone interact. energy: 0.027
local terms energy: -184.890322
where:
bonds (distance) C4'-P energy: -38.961
bonds (distance) P-C4' energy: -51.515
flat angles C4'-P-C4' energy: -47.880
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -28.323
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: -432.870345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.870345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.870345 (E_RNA)
where:
Base-Base interactions energy: -255.824
where: short stacking energy: -104.899
Base-Backbone interact. energy: -2.015
local terms energy: -175.031923
where:
bonds (distance) C4'-P energy: -47.892
bonds (distance) P-C4' energy: -46.451
flat angles C4'-P-C4' energy: -45.271
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -967.192939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.192939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.192939 (E_RNA)
where:
Base-Base interactions energy: -673.795
where: short stacking energy: -284.584
Base-Backbone interact. energy: -1.866
local terms energy: -291.532571
where:
bonds (distance) C4'-P energy: -44.131
bonds (distance) P-C4' energy: -52.729
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -85.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -937.957945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.957945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.957945 (E_RNA)
where:
Base-Base interactions energy: -645.793
where: short stacking energy: -276.361
Base-Backbone interact. energy: -0.299
local terms energy: -291.865910
where:
bonds (distance) C4'-P energy: -48.807
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -89.218
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: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -941.133985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.133985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.133985 (E_RNA)
where:
Base-Base interactions energy: -645.045
where: short stacking energy: -280.390
Base-Backbone interact. energy: -1.367
local terms energy: -294.721728
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -58.288
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -87.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -884.173223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.173223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.173223 (E_RNA)
where:
Base-Base interactions energy: -607.069
where: short stacking energy: -268.683
Base-Backbone interact. energy: -0.065
local terms energy: -277.039877
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -49.325
flat angles C4'-P-C4' energy: -54.267
flat angles P-C4'-P energy: -40.304
tors. eta vs tors. theta energy: -85.250
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -856.232892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.232892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.232892 (E_RNA)
where:
Base-Base interactions energy: -599.564
where: short stacking energy: -240.884
Base-Backbone interact. energy: -1.260
local terms energy: -255.408983
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -38.638
flat angles C4'-P-C4' energy: -61.312
flat angles P-C4'-P energy: -34.358
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: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -778.165781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.165781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.165781 (E_RNA)
where:
Base-Base interactions energy: -540.020
where: short stacking energy: -217.239
Base-Backbone interact. energy: 0.125
local terms energy: -238.271007
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -66.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -702.078140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.078140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.078140 (E_RNA)
where:
Base-Base interactions energy: -471.735
where: short stacking energy: -190.516
Base-Backbone interact. energy: 0.004
local terms energy: -230.346950
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -46.842
flat angles C4'-P-C4' energy: -47.739
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: -51.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -691.165528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.165528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.165528 (E_RNA)
where:
Base-Base interactions energy: -474.200
where: short stacking energy: -186.886
Base-Backbone interact. energy: -2.053
local terms energy: -214.912820
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -53.880
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -51.337
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -587.206840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.206840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.206840 (E_RNA)
where:
Base-Base interactions energy: -391.844
where: short stacking energy: -165.750
Base-Backbone interact. energy: -0.987
local terms energy: -194.375494
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -32.441
flat angles C4'-P-C4' energy: -47.503
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -40.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -403.404156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.404156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.404156 (E_RNA)
where:
Base-Base interactions energy: -237.379
where: short stacking energy: -119.802
Base-Backbone interact. energy: -1.571
local terms energy: -164.454057
where:
bonds (distance) C4'-P energy: -38.442
bonds (distance) P-C4' energy: -44.342
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -20.305
tors. eta vs tors. theta energy: -24.273
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: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -961.619019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.619019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.619019 (E_RNA)
where:
Base-Base interactions energy: -669.981
where: short stacking energy: -279.107
Base-Backbone interact. energy: -2.378
local terms energy: -289.260289
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -50.476
flat angles C4'-P-C4' energy: -63.740
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -85.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -950.836637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.836637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.836637 (E_RNA)
where:
Base-Base interactions energy: -658.356
where: short stacking energy: -290.854
Base-Backbone interact. energy: -0.969
local terms energy: -291.512246
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -61.554
flat angles P-C4'-P energy: -37.953
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: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -908.286562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.286562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.286562 (E_RNA)
where:
Base-Base interactions energy: -623.638
where: short stacking energy: -259.071
Base-Backbone interact. energy: -1.518
local terms energy: -283.130527
where:
bonds (distance) C4'-P energy: -51.779
bonds (distance) P-C4' energy: -47.191
flat angles C4'-P-C4' energy: -63.999
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -82.649
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: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -871.387148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.387148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.387148 (E_RNA)
where:
Base-Base interactions energy: -605.415
where: short stacking energy: -236.294
Base-Backbone interact. energy: -0.940
local terms energy: -265.032576
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -53.243
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -72.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -844.535179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.535179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.535179 (E_RNA)
where:
Base-Base interactions energy: -585.817
where: short stacking energy: -240.938
Base-Backbone interact. energy: 2.034
local terms energy: -260.751410
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -52.556
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: -65.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -801.734581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.734581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.734581 (E_RNA)
where:
Base-Base interactions energy: -550.975
where: short stacking energy: -230.395
Base-Backbone interact. energy: -0.425
local terms energy: -250.335201
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -55.624
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -64.229
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: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -697.611513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.611513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.611513 (E_RNA)
where:
Base-Base interactions energy: -479.491
where: short stacking energy: -206.353
Base-Backbone interact. energy: 1.223
local terms energy: -219.344274
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -49.579
flat angles C4'-P-C4' energy: -44.970
flat angles P-C4'-P energy: -32.931
tors. eta vs tors. theta energy: -52.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -692.283741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.283741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.283741 (E_RNA)
where:
Base-Base interactions energy: -480.728
where: short stacking energy: -201.253
Base-Backbone interact. energy: -0.427
local terms energy: -211.128719
where:
bonds (distance) C4'-P energy: -39.096
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -24.967
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: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -599.613787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.613787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.613787 (E_RNA)
where:
Base-Base interactions energy: -406.172
where: short stacking energy: -184.123
Base-Backbone interact. energy: -1.310
local terms energy: -192.132453
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -46.100
flat angles C4'-P-C4' energy: -33.000
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -388.684137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.684137 (E_RNA)
where:
Base-Base interactions energy: -230.187
where: short stacking energy: -106.248
Base-Backbone interact. energy: 1.966
local terms energy: -160.463338
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -47.125
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -963.906040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.906040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.906040 (E_RNA)
where:
Base-Base interactions energy: -677.623
where: short stacking energy: -285.190
Base-Backbone interact. energy: -1.532
local terms energy: -284.750710
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -38.197
tors. eta vs tors. theta energy: -85.324
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: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -959.364100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.364100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.364100 (E_RNA)
where:
Base-Base interactions energy: -644.932
where: short stacking energy: -274.976
Base-Backbone interact. energy: -2.761
local terms energy: -311.671173
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -66.147
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -85.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -939.615431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.615431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.615431 (E_RNA)
where:
Base-Base interactions energy: -653.042
where: short stacking energy: -274.808
Base-Backbone interact. energy: -2.524
local terms energy: -284.049576
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -52.483
flat angles C4'-P-C4' energy: -61.864
flat angles P-C4'-P energy: -44.334
tors. eta vs tors. theta energy: -79.229
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -871.509783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.509783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.509783 (E_RNA)
where:
Base-Base interactions energy: -613.750
where: short stacking energy: -254.260
Base-Backbone interact. energy: -1.246
local terms energy: -256.513614
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -39.846
flat angles C4'-P-C4' energy: -53.615
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: -76.554
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: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -849.211512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.211512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.211512 (E_RNA)
where:
Base-Base interactions energy: -597.606
where: short stacking energy: -238.708
Base-Backbone interact. energy: -2.466
local terms energy: -249.138924
where:
bonds (distance) C4'-P energy: -38.713
bonds (distance) P-C4' energy: -40.268
flat angles C4'-P-C4' energy: -54.822
flat angles P-C4'-P energy: -45.598
tors. eta vs tors. theta energy: -69.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -781.595591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.595591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.595591 (E_RNA)
where:
Base-Base interactions energy: -541.510
where: short stacking energy: -227.661
Base-Backbone interact. energy: -0.815
local terms energy: -239.270492
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -45.193
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -60.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -763.387342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.387342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.387342 (E_RNA)
where:
Base-Base interactions energy: -535.968
where: short stacking energy: -206.394
Base-Backbone interact. energy: -0.230
local terms energy: -227.189655
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -48.778
flat angles C4'-P-C4' energy: -41.672
flat angles P-C4'-P energy: -39.284
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -693.389088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.389088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.389088 (E_RNA)
where:
Base-Base interactions energy: -459.021
where: short stacking energy: -202.789
Base-Backbone interact. energy: -0.702
local terms energy: -233.666077
where:
bonds (distance) C4'-P energy: -35.502
bonds (distance) P-C4' energy: -51.792
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -51.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -572.452281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.452281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.452281 (E_RNA)
where:
Base-Base interactions energy: -365.894
where: short stacking energy: -165.101
Base-Backbone interact. energy: -0.335
local terms energy: -206.223127
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -42.220
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -41.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -347.011178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.011178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.011178 (E_RNA)
where:
Base-Base interactions energy: -219.009
where: short stacking energy: -100.586
Base-Backbone interact. energy: 0.015
local terms energy: -128.016709
where:
bonds (distance) C4'-P energy: -41.512
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -3.634
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: 31
Temperature: 0.900000
Total energy: -948.233293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.233293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.233293 (E_RNA)
where:
Base-Base interactions energy: -662.004
where: short stacking energy: -282.200
Base-Backbone interact. energy: -0.814
local terms energy: -285.415397
where:
bonds (distance) C4'-P energy: -46.478
bonds (distance) P-C4' energy: -48.719
flat angles C4'-P-C4' energy: -60.756
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -84.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -950.916462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.916462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.916462 (E_RNA)
where:
Base-Base interactions energy: -647.514
where: short stacking energy: -278.375
Base-Backbone interact. energy: -1.035
local terms energy: -302.366953
where:
bonds (distance) C4'-P energy: -51.406
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -65.243
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -932.399074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.399074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.399074 (E_RNA)
where:
Base-Base interactions energy: -634.441
where: short stacking energy: -284.324
Base-Backbone interact. energy: -1.679
local terms energy: -296.279201
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -55.518
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -41.780
tors. eta vs tors. theta energy: -87.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -894.822165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.822165 (E_RNA)
where:
Base-Base interactions energy: -624.293
where: short stacking energy: -256.663
Base-Backbone interact. energy: -1.899
local terms energy: -268.630638
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -50.029
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -75.577
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: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -842.671532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.671532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.671532 (E_RNA)
where:
Base-Base interactions energy: -590.328
where: short stacking energy: -257.998
Base-Backbone interact. energy: -1.926
local terms energy: -250.417498
where:
bonds (distance) C4'-P energy: -47.602
bonds (distance) P-C4' energy: -35.168
flat angles C4'-P-C4' energy: -52.692
flat angles P-C4'-P energy: -41.928
tors. eta vs tors. theta energy: -73.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -775.843852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.843852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.843852 (E_RNA)
where:
Base-Base interactions energy: -538.891
where: short stacking energy: -213.594
Base-Backbone interact. energy: -0.395
local terms energy: -236.558413
where:
bonds (distance) C4'-P energy: -45.536
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -51.141
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -58.455
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: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -756.770975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.770975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.770975 (E_RNA)
where:
Base-Base interactions energy: -524.988
where: short stacking energy: -209.410
Base-Backbone interact. energy: 0.287
local terms energy: -232.070253
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -47.978
flat angles C4'-P-C4' energy: -46.953
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -66.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -660.497289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.497289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.497289 (E_RNA)
where:
Base-Base interactions energy: -429.705
where: short stacking energy: -199.076
Base-Backbone interact. energy: -1.170
local terms energy: -229.621774
where:
bonds (distance) C4'-P energy: -48.196
bonds (distance) P-C4' energy: -46.510
flat angles C4'-P-C4' energy: -40.237
flat angles P-C4'-P energy: -39.029
tors. eta vs tors. theta energy: -55.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -628.654489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.654489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.654489 (E_RNA)
where:
Base-Base interactions energy: -412.977
where: short stacking energy: -176.577
Base-Backbone interact. energy: -1.176
local terms energy: -214.501157
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -47.684
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -45.444
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: 31
Temperature: 1.350000
Total energy: -405.725734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.725734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.725734 (E_RNA)
where:
Base-Base interactions energy: -252.417
where: short stacking energy: -121.965
Base-Backbone interact. energy: 1.948
local terms energy: -155.256942
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -50.843
flat angles C4'-P-C4' energy: -42.518
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -4.124
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: 32
Temperature: 0.900000
Total energy: -989.307265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.307265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.307265 (E_RNA)
where:
Base-Base interactions energy: -676.451
where: short stacking energy: -284.984
Base-Backbone interact. energy: -0.504
local terms energy: -312.352394
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -91.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -943.238613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.238613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.238613 (E_RNA)
where:
Base-Base interactions energy: -652.899
where: short stacking energy: -273.108
Base-Backbone interact. energy: -0.913
local terms energy: -289.426828
where:
bonds (distance) C4'-P energy: -57.216
bonds (distance) P-C4' energy: -45.648
flat angles C4'-P-C4' energy: -61.986
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -85.303
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: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -923.401472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.401472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.401472 (E_RNA)
where:
Base-Base interactions energy: -641.324
where: short stacking energy: -268.351
Base-Backbone interact. energy: -0.635
local terms energy: -281.443224
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -53.239
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -85.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -888.751216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.751216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.751216 (E_RNA)
where:
Base-Base interactions energy: -629.748
where: short stacking energy: -248.757
Base-Backbone interact. energy: -0.734
local terms energy: -258.268836
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -43.515
flat angles C4'-P-C4' energy: -60.892
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -70.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -802.529049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.529049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.529049 (E_RNA)
where:
Base-Base interactions energy: -547.929
where: short stacking energy: -220.664
Base-Backbone interact. energy: -0.460
local terms energy: -254.140455
where:
bonds (distance) C4'-P energy: -50.067
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -51.690
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -68.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -784.246410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.246410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.246410 (E_RNA)
where:
Base-Base interactions energy: -543.657
where: short stacking energy: -239.284
Base-Backbone interact. energy: -0.895
local terms energy: -239.694504
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -41.890
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -41.330
tors. eta vs tors. theta energy: -66.070
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: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -751.497816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.497816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.497816 (E_RNA)
where:
Base-Base interactions energy: -520.569
where: short stacking energy: -220.067
Base-Backbone interact. energy: 1.380
local terms energy: -232.309276
where:
bonds (distance) C4'-P energy: -41.093
bonds (distance) P-C4' energy: -48.167
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -62.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -622.622188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.622188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.622188 (E_RNA)
where:
Base-Base interactions energy: -429.454
where: short stacking energy: -172.839
Base-Backbone interact. energy: 1.542
local terms energy: -194.710132
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -44.202
flat angles C4'-P-C4' energy: -42.986
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -42.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -609.716264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.716264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.716264 (E_RNA)
where:
Base-Base interactions energy: -405.058
where: short stacking energy: -180.226
Base-Backbone interact. energy: -0.693
local terms energy: -203.965547
where:
bonds (distance) C4'-P energy: -43.308
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -45.633
flat angles P-C4'-P energy: -27.575
tors. eta vs tors. theta energy: -45.289
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: 32
Temperature: 1.350000
Total energy: -415.014372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.014372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.014372 (E_RNA)
where:
Base-Base interactions energy: -248.228
where: short stacking energy: -114.748
Base-Backbone interact. energy: -0.611
local terms energy: -166.175191
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -46.277
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -963.393261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.393261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.393261 (E_RNA)
where:
Base-Base interactions energy: -662.710
where: short stacking energy: -294.519
Base-Backbone interact. energy: -0.412
local terms energy: -300.271543
where:
bonds (distance) C4'-P energy: -50.336
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -62.507
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -97.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -936.736500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.736500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.736500 (E_RNA)
where:
Base-Base interactions energy: -635.705
where: short stacking energy: -270.321
Base-Backbone interact. energy: -0.761
local terms energy: -300.270708
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -56.426
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -87.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -919.685219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.685219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.685219 (E_RNA)
where:
Base-Base interactions energy: -635.295
where: short stacking energy: -275.632
Base-Backbone interact. energy: -0.682
local terms energy: -283.707605
where:
bonds (distance) C4'-P energy: -54.768
bonds (distance) P-C4' energy: -52.089
flat angles C4'-P-C4' energy: -53.901
flat angles P-C4'-P energy: -39.847
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: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -906.616787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.616787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.616787 (E_RNA)
where:
Base-Base interactions energy: -629.102
where: short stacking energy: -268.240
Base-Backbone interact. energy: 1.352
local terms energy: -278.867508
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -60.311
flat angles P-C4'-P energy: -39.932
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: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -821.115845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.115845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.115845 (E_RNA)
where:
Base-Base interactions energy: -576.881
where: short stacking energy: -245.802
Base-Backbone interact. energy: 0.447
local terms energy: -244.681783
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -49.410
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -40.859
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -757.274444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.274444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.274444 (E_RNA)
where:
Base-Base interactions energy: -522.150
where: short stacking energy: -211.519
Base-Backbone interact. energy: -2.381
local terms energy: -232.743441
where:
bonds (distance) C4'-P energy: -43.273
bonds (distance) P-C4' energy: -44.602
flat angles C4'-P-C4' energy: -53.459
flat angles P-C4'-P energy: -40.828
tors. eta vs tors. theta energy: -50.582
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -789.789371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.789371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.789371 (E_RNA)
where:
Base-Base interactions energy: -546.667
where: short stacking energy: -229.843
Base-Backbone interact. energy: -0.185
local terms energy: -242.936809
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -43.050
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -63.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -585.823322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.823322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.823322 (E_RNA)
where:
Base-Base interactions energy: -390.085
where: short stacking energy: -157.582
Base-Backbone interact. energy: -0.446
local terms energy: -195.292010
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -49.144
flat angles C4'-P-C4' energy: -41.837
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -37.294
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: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -632.221653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.221653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.221653 (E_RNA)
where:
Base-Base interactions energy: -429.360
where: short stacking energy: -179.179
Base-Backbone interact. energy: -0.628
local terms energy: -202.234573
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -34.695
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -31.826
tors. eta vs tors. theta energy: -55.424
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: 33
Temperature: 1.350000
Total energy: -418.071403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.071403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.071403 (E_RNA)
where:
Base-Base interactions energy: -241.840
where: short stacking energy: -116.189
Base-Backbone interact. energy: -0.541
local terms energy: -175.690942
where:
bonds (distance) C4'-P energy: -42.092
bonds (distance) P-C4' energy: -42.150
flat angles C4'-P-C4' energy: -36.359
flat angles P-C4'-P energy: -23.756
tors. eta vs tors. theta energy: -31.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -950.061860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.061860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.061860 (E_RNA)
where:
Base-Base interactions energy: -669.691
where: short stacking energy: -270.359
Base-Backbone interact. energy: -1.116
local terms energy: -279.254174
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -54.201
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -89.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -943.831247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.831247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.831247 (E_RNA)
where:
Base-Base interactions energy: -653.291
where: short stacking energy: -278.312
Base-Backbone interact. energy: -0.793
local terms energy: -289.746842
where:
bonds (distance) C4'-P energy: -52.231
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -43.916
tors. eta vs tors. theta energy: -86.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -939.751586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.751586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.751586 (E_RNA)
where:
Base-Base interactions energy: -657.240
where: short stacking energy: -267.546
Base-Backbone interact. energy: -0.555
local terms energy: -281.956417
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -57.328
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -85.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -896.396213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.396213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.396213 (E_RNA)
where:
Base-Base interactions energy: -619.044
where: short stacking energy: -245.244
Base-Backbone interact. energy: -0.607
local terms energy: -276.744814
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -47.786
flat angles C4'-P-C4' energy: -59.732
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -81.514
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: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -789.867783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.867783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.867783 (E_RNA)
where:
Base-Base interactions energy: -543.305
where: short stacking energy: -220.697
Base-Backbone interact. energy: 6.920
local terms energy: -253.482321
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -55.208
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -60.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -755.944979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.944979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.944979 (E_RNA)
where:
Base-Base interactions energy: -528.486
where: short stacking energy: -219.686
Base-Backbone interact. energy: 3.117
local terms energy: -230.576778
where:
bonds (distance) C4'-P energy: -37.138
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -48.549
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -785.666096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.666096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.666096 (E_RNA)
where:
Base-Base interactions energy: -536.032
where: short stacking energy: -226.101
Base-Backbone interact. energy: 1.184
local terms energy: -250.818172
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -70.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -617.466605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.466605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.466605 (E_RNA)
where:
Base-Base interactions energy: -401.676
where: short stacking energy: -188.137
Base-Backbone interact. energy: -0.542
local terms energy: -215.248092
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -52.984
flat angles C4'-P-C4' energy: -41.087
flat angles P-C4'-P energy: -33.351
tors. eta vs tors. theta energy: -56.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -612.968765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.968765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.968765 (E_RNA)
where:
Base-Base interactions energy: -411.848
where: short stacking energy: -183.158
Base-Backbone interact. energy: -0.646
local terms energy: -200.474833
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -46.667
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -420.251088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.251088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.251088 (E_RNA)
where:
Base-Base interactions energy: -248.225
where: short stacking energy: -123.953
Base-Backbone interact. energy: -0.412
local terms energy: -171.613951
where:
bonds (distance) C4'-P energy: -44.187
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -33.657
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -950.493960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.493960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.493960 (E_RNA)
where:
Base-Base interactions energy: -662.611
where: short stacking energy: -267.885
Base-Backbone interact. energy: -2.041
local terms energy: -285.842081
where:
bonds (distance) C4'-P energy: -56.391
bonds (distance) P-C4' energy: -44.755
flat angles C4'-P-C4' energy: -54.356
flat angles P-C4'-P energy: -45.931
tors. eta vs tors. theta energy: -84.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -925.589841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.589841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.589841 (E_RNA)
where:
Base-Base interactions energy: -635.475
where: short stacking energy: -276.554
Base-Backbone interact. energy: 1.224
local terms energy: -291.339040
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -52.881
flat angles C4'-P-C4' energy: -54.595
flat angles P-C4'-P energy: -48.683
tors. eta vs tors. theta energy: -90.618
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -947.174537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.174537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.174537 (E_RNA)
where:
Base-Base interactions energy: -670.058
where: short stacking energy: -285.069
Base-Backbone interact. energy: 0.534
local terms energy: -277.650217
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -55.754
flat angles C4'-P-C4' energy: -57.725
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: -87.590
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: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -911.204073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.204073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.204073 (E_RNA)
where:
Base-Base interactions energy: -634.623
where: short stacking energy: -272.441
Base-Backbone interact. energy: -0.199
local terms energy: -276.381910
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -55.057
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -77.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -829.250714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.250714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.250714 (E_RNA)
where:
Base-Base interactions energy: -567.500
where: short stacking energy: -225.619
Base-Backbone interact. energy: 0.949
local terms energy: -262.699322
where:
bonds (distance) C4'-P energy: -51.005
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -60.693
flat angles P-C4'-P energy: -35.273
tors. eta vs tors. theta energy: -60.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -788.292107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.292107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.292107 (E_RNA)
where:
Base-Base interactions energy: -539.172
where: short stacking energy: -240.828
Base-Backbone interact. energy: -2.321
local terms energy: -246.799827
where:
bonds (distance) C4'-P energy: -43.252
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -54.772
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -68.831
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: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -765.398069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.398069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.398069 (E_RNA)
where:
Base-Base interactions energy: -531.123
where: short stacking energy: -216.731
Base-Backbone interact. energy: -0.573
local terms energy: -233.701896
where:
bonds (distance) C4'-P energy: -44.144
bonds (distance) P-C4' energy: -45.048
flat angles C4'-P-C4' energy: -52.152
flat angles P-C4'-P energy: -33.874
tors. eta vs tors. theta energy: -58.484
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: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -595.015746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.015746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.015746 (E_RNA)
where:
Base-Base interactions energy: -379.267
where: short stacking energy: -156.725
Base-Backbone interact. energy: 0.022
local terms energy: -215.771454
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -26.715
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: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -579.806756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.806756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.806756 (E_RNA)
where:
Base-Base interactions energy: -405.554
where: short stacking energy: -174.910
Base-Backbone interact. energy: -1.470
local terms energy: -172.783082
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -36.310
flat angles P-C4'-P energy: -32.295
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -377.630599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.630599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.630599 (E_RNA)
where:
Base-Base interactions energy: -233.381
where: short stacking energy: -98.385
Base-Backbone interact. energy: 0.684
local terms energy: -144.933312
where:
bonds (distance) C4'-P energy: -34.887
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -938.057811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.057811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.057811 (E_RNA)
where:
Base-Base interactions energy: -648.929
where: short stacking energy: -262.831
Base-Backbone interact. energy: -0.444
local terms energy: -288.684139
where:
bonds (distance) C4'-P energy: -61.811
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -79.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -927.269296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.269296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.269296 (E_RNA)
where:
Base-Base interactions energy: -636.820
where: short stacking energy: -270.763
Base-Backbone interact. energy: -2.322
local terms energy: -288.127229
where:
bonds (distance) C4'-P energy: -52.717
bonds (distance) P-C4' energy: -51.684
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -79.444
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: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -909.350880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.350880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.350880 (E_RNA)
where:
Base-Base interactions energy: -618.764
where: short stacking energy: -258.460
Base-Backbone interact. energy: -1.461
local terms energy: -289.125589
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -53.871
flat angles C4'-P-C4' energy: -61.895
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -84.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -899.938063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.938063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.938063 (E_RNA)
where:
Base-Base interactions energy: -619.100
where: short stacking energy: -263.888
Base-Backbone interact. energy: -0.788
local terms energy: -280.050041
where:
bonds (distance) C4'-P energy: -41.108
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -58.382
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -80.877
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -786.314737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.314737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.314737 (E_RNA)
where:
Base-Base interactions energy: -533.696
where: short stacking energy: -230.733
Base-Backbone interact. energy: -0.417
local terms energy: -252.201641
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -53.364
flat angles C4'-P-C4' energy: -51.232
flat angles P-C4'-P energy: -37.500
tors. eta vs tors. theta energy: -63.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -807.220041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.220041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.220041 (E_RNA)
where:
Base-Base interactions energy: -566.258
where: short stacking energy: -215.477
Base-Backbone interact. energy: -1.117
local terms energy: -239.845125
where:
bonds (distance) C4'-P energy: -47.853
bonds (distance) P-C4' energy: -44.291
flat angles C4'-P-C4' energy: -52.632
flat angles P-C4'-P energy: -42.019
tors. eta vs tors. theta energy: -53.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -767.639666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.639666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.639666 (E_RNA)
where:
Base-Base interactions energy: -521.057
where: short stacking energy: -201.290
Base-Backbone interact. energy: -0.966
local terms energy: -245.616607
where:
bonds (distance) C4'-P energy: -51.363
bonds (distance) P-C4' energy: -44.801
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -38.319
tors. eta vs tors. theta energy: -55.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -589.889308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.889308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.889308 (E_RNA)
where:
Base-Base interactions energy: -381.148
where: short stacking energy: -162.919
Base-Backbone interact. energy: 1.211
local terms energy: -209.951868
where:
bonds (distance) C4'-P energy: -47.773
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -44.877
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -44.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -589.898974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.898974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.898974 (E_RNA)
where:
Base-Base interactions energy: -395.507
where: short stacking energy: -160.449
Base-Backbone interact. energy: 1.856
local terms energy: -196.248439
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -35.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -352.698998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.698998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.698998 (E_RNA)
where:
Base-Base interactions energy: -207.980
where: short stacking energy: -94.921
Base-Backbone interact. energy: 7.904
local terms energy: -152.623184
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -48.735
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -958.301369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.301369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.301369 (E_RNA)
where:
Base-Base interactions energy: -666.704
where: short stacking energy: -278.405
Base-Backbone interact. energy: -0.960
local terms energy: -290.637861
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -58.657
flat angles P-C4'-P energy: -47.677
tors. eta vs tors. theta energy: -93.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -950.292817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.292817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.292817 (E_RNA)
where:
Base-Base interactions energy: -662.534
where: short stacking energy: -281.862
Base-Backbone interact. energy: -1.624
local terms energy: -286.135163
where:
bonds (distance) C4'-P energy: -52.509
bonds (distance) P-C4' energy: -52.351
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -39.496
tors. eta vs tors. theta energy: -88.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -913.516099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.516099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.516099 (E_RNA)
where:
Base-Base interactions energy: -627.802
where: short stacking energy: -266.962
Base-Backbone interact. energy: -1.204
local terms energy: -284.510098
where:
bonds (distance) C4'-P energy: -45.075
bonds (distance) P-C4' energy: -53.983
flat angles C4'-P-C4' energy: -62.317
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -83.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -906.029464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.029464 (E_RNA)
where:
Base-Base interactions energy: -623.197
where: short stacking energy: -256.961
Base-Backbone interact. energy: -1.067
local terms energy: -281.764865
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -56.725
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -79.594
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -798.056887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.056887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.056887 (E_RNA)
where:
Base-Base interactions energy: -537.827
where: short stacking energy: -240.713
Base-Backbone interact. energy: -1.408
local terms energy: -258.822033
where:
bonds (distance) C4'-P energy: -48.392
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -50.364
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -68.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -775.499746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.499746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.499746 (E_RNA)
where:
Base-Base interactions energy: -541.320
where: short stacking energy: -215.025
Base-Backbone interact. energy: -0.352
local terms energy: -233.827559
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -57.106
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -56.812
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: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -762.148083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.148083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.148083 (E_RNA)
where:
Base-Base interactions energy: -516.026
where: short stacking energy: -212.834
Base-Backbone interact. energy: -0.351
local terms energy: -245.771558
where:
bonds (distance) C4'-P energy: -37.583
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -43.347
tors. eta vs tors. theta energy: -61.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -610.236204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.236204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.236204 (E_RNA)
where:
Base-Base interactions energy: -401.046
where: short stacking energy: -170.283
Base-Backbone interact. energy: -1.148
local terms energy: -208.041279
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -42.373
flat angles C4'-P-C4' energy: -45.998
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -40.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -590.625595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.625595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.625595 (E_RNA)
where:
Base-Base interactions energy: -395.726
where: short stacking energy: -166.910
Base-Backbone interact. energy: 0.654
local terms energy: -195.553718
where:
bonds (distance) C4'-P energy: -39.836
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -42.695
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -35.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -333.325459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.325459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.325459 (E_RNA)
where:
Base-Base interactions energy: -171.661
where: short stacking energy: -106.083
Base-Backbone interact. energy: 0.468
local terms energy: -162.132463
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -38.148
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -13.036
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: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -964.746909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.746909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.746909 (E_RNA)
where:
Base-Base interactions energy: -673.714
where: short stacking energy: -273.295
Base-Backbone interact. energy: -1.912
local terms energy: -289.121199
where:
bonds (distance) C4'-P energy: -51.937
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -58.941
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -82.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -955.865856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.865856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.865856 (E_RNA)
where:
Base-Base interactions energy: -649.088
where: short stacking energy: -280.044
Base-Backbone interact. energy: -0.706
local terms energy: -306.071059
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -60.555
flat angles C4'-P-C4' energy: -65.377
flat angles P-C4'-P energy: -41.856
tors. eta vs tors. theta energy: -86.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -926.815395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.815395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.815395 (E_RNA)
where:
Base-Base interactions energy: -629.602
where: short stacking energy: -276.012
Base-Backbone interact. energy: -0.524
local terms energy: -296.688987
where:
bonds (distance) C4'-P energy: -57.301
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -64.421
flat angles P-C4'-P energy: -35.708
tors. eta vs tors. theta energy: -87.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -895.797812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.797812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.797812 (E_RNA)
where:
Base-Base interactions energy: -625.074
where: short stacking energy: -263.144
Base-Backbone interact. energy: -0.848
local terms energy: -269.875746
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -55.452
flat angles C4'-P-C4' energy: -52.475
flat angles P-C4'-P energy: -42.696
tors. eta vs tors. theta energy: -73.954
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: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -786.492156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.492156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.492156 (E_RNA)
where:
Base-Base interactions energy: -531.990
where: short stacking energy: -227.710
Base-Backbone interact. energy: -1.955
local terms energy: -252.547137
where:
bonds (distance) C4'-P energy: -42.760
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -50.972
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -64.025
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -777.120759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.120759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.120759 (E_RNA)
where:
Base-Base interactions energy: -546.962
where: short stacking energy: -221.038
Base-Backbone interact. energy: -2.246
local terms energy: -227.913142
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -52.928
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -58.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -753.745386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.745386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.745386 (E_RNA)
where:
Base-Base interactions energy: -518.670
where: short stacking energy: -204.961
Base-Backbone interact. energy: 1.477
local terms energy: -236.552486
where:
bonds (distance) C4'-P energy: -53.660
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -44.298
flat angles P-C4'-P energy: -32.271
tors. eta vs tors. theta energy: -57.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -600.070667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.070667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.070667 (E_RNA)
where:
Base-Base interactions energy: -400.342
where: short stacking energy: -149.394
Base-Backbone interact. energy: -0.354
local terms energy: -199.375547
where:
bonds (distance) C4'-P energy: -43.949
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -43.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -546.021622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.021622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.021622 (E_RNA)
where:
Base-Base interactions energy: -357.434
where: short stacking energy: -162.596
Base-Backbone interact. energy: -0.941
local terms energy: -187.646137
where:
bonds (distance) C4'-P energy: -35.898
bonds (distance) P-C4' energy: -43.872
flat angles C4'-P-C4' energy: -47.481
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -36.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -314.495964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.495964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.495964 (E_RNA)
where:
Base-Base interactions energy: -149.076
where: short stacking energy: -82.686
Base-Backbone interact. energy: 0.977
local terms energy: -166.396563
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -2.044
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: 39
Temperature: 0.900000
Total energy: -956.498246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.498246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.498246 (E_RNA)
where:
Base-Base interactions energy: -657.578
where: short stacking energy: -267.688
Base-Backbone interact. energy: -0.665
local terms energy: -298.255578
where:
bonds (distance) C4'-P energy: -50.782
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -78.233
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -956.937097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.937097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.937097 (E_RNA)
where:
Base-Base interactions energy: -655.926
where: short stacking energy: -275.068
Base-Backbone interact. energy: -0.688
local terms energy: -300.322929
where:
bonds (distance) C4'-P energy: -50.083
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -60.365
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -92.717
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: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -933.277086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.277086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.277086 (E_RNA)
where:
Base-Base interactions energy: -652.257
where: short stacking energy: -285.904
Base-Backbone interact. energy: -3.272
local terms energy: -277.748294
where:
bonds (distance) C4'-P energy: -48.480
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -81.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -902.556044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.556044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.556044 (E_RNA)
where:
Base-Base interactions energy: -630.757
where: short stacking energy: -261.488
Base-Backbone interact. energy: -0.901
local terms energy: -270.898109
where:
bonds (distance) C4'-P energy: -40.988
bonds (distance) P-C4' energy: -50.825
flat angles C4'-P-C4' energy: -58.721
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -78.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -783.455292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.455292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.455292 (E_RNA)
where:
Base-Base interactions energy: -539.618
where: short stacking energy: -219.444
Base-Backbone interact. energy: -0.166
local terms energy: -243.671071
where:
bonds (distance) C4'-P energy: -40.673
bonds (distance) P-C4' energy: -51.143
flat angles C4'-P-C4' energy: -53.948
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -65.386
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: 39
Temperature: 1.150000
Total energy: -824.260866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.260866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.260866 (E_RNA)
where:
Base-Base interactions energy: -572.140
where: short stacking energy: -236.831
Base-Backbone interact. energy: -1.130
local terms energy: -250.991597
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -54.230
flat angles P-C4'-P energy: -48.284
tors. eta vs tors. theta energy: -63.942
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: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -724.806460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.806460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.806460 (E_RNA)
where:
Base-Base interactions energy: -491.380
where: short stacking energy: -197.220
Base-Backbone interact. energy: -0.122
local terms energy: -233.304805
where:
bonds (distance) C4'-P energy: -54.576
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -47.877
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -55.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -660.243600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.243600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.243600 (E_RNA)
where:
Base-Base interactions energy: -452.131
where: short stacking energy: -193.128
Base-Backbone interact. energy: -0.472
local terms energy: -207.640408
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -51.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -550.404273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.404273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.404273 (E_RNA)
where:
Base-Base interactions energy: -368.149
where: short stacking energy: -145.253
Base-Backbone interact. energy: -0.807
local terms energy: -181.447843
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -55.155
flat angles C4'-P-C4' energy: -42.316
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -305.446873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.446873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.446873 (E_RNA)
where:
Base-Base interactions energy: -153.983
where: short stacking energy: -80.057
Base-Backbone interact. energy: 0.595
local terms energy: -152.058054
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -37.613
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: 0.449
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: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -973.610368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.610368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.610368 (E_RNA)
where:
Base-Base interactions energy: -669.936
where: short stacking energy: -287.264
Base-Backbone interact. energy: -1.361
local terms energy: -302.313315
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -60.416
flat angles P-C4'-P energy: -38.264
tors. eta vs tors. theta energy: -91.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -949.649861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.649861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.649861 (E_RNA)
where:
Base-Base interactions energy: -667.215
where: short stacking energy: -277.539
Base-Backbone interact. energy: -1.222
local terms energy: -281.212393
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -53.861
flat angles P-C4'-P energy: -47.272
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: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -937.517419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.517419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.517419 (E_RNA)
where:
Base-Base interactions energy: -641.050
where: short stacking energy: -279.145
Base-Backbone interact. energy: -0.873
local terms energy: -295.594102
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -62.311
flat angles P-C4'-P energy: -47.476
tors. eta vs tors. theta energy: -86.919
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: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -930.601435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.601435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.601435 (E_RNA)
where:
Base-Base interactions energy: -660.545
where: short stacking energy: -276.270
Base-Backbone interact. energy: 0.172
local terms energy: -270.227549
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -83.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -852.510320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.510320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.510320 (E_RNA)
where:
Base-Base interactions energy: -600.998
where: short stacking energy: -240.628
Base-Backbone interact. energy: -1.304
local terms energy: -250.208308
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -48.637
flat angles C4'-P-C4' energy: -51.962
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -68.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -748.391794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.391794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.391794 (E_RNA)
where:
Base-Base interactions energy: -508.164
where: short stacking energy: -223.313
Base-Backbone interact. energy: -1.465
local terms energy: -238.762790
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -42.890
flat angles C4'-P-C4' energy: -59.134
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -65.556
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: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -755.818771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.818771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.818771 (E_RNA)
where:
Base-Base interactions energy: -518.931
where: short stacking energy: -226.224
Base-Backbone interact. energy: 0.315
local terms energy: -237.203072
where:
bonds (distance) C4'-P energy: -42.092
bonds (distance) P-C4' energy: -48.469
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -32.397
tors. eta vs tors. theta energy: -68.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -633.207950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.207950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.207950 (E_RNA)
where:
Base-Base interactions energy: -427.982
where: short stacking energy: -178.360
Base-Backbone interact. energy: 1.217
local terms energy: -206.443612
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -43.822
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: 40
Temperature: 1.300000
Total energy: -549.398030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.398030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.398030 (E_RNA)
where:
Base-Base interactions energy: -369.572
where: short stacking energy: -134.616
Base-Backbone interact. energy: 1.432
local terms energy: -181.258256
where:
bonds (distance) C4'-P energy: -42.121
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -46.114
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -26.554
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: 40
Temperature: 1.350000
Total energy: -293.842014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.842014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.842014 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -83.173
Base-Backbone interact. energy: 1.313
local terms energy: -138.014904
where:
bonds (distance) C4'-P energy: -42.846
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -44.914
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: 10.749
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: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -977.261994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.261994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.261994 (E_RNA)
where:
Base-Base interactions energy: -669.576
where: short stacking energy: -298.736
Base-Backbone interact. energy: -1.113
local terms energy: -306.573203
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -66.259
flat angles P-C4'-P energy: -41.049
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: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -943.645729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.645729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.645729 (E_RNA)
where:
Base-Base interactions energy: -650.355
where: short stacking energy: -271.142
Base-Backbone interact. energy: 0.144
local terms energy: -293.434721
where:
bonds (distance) C4'-P energy: -53.877
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -80.112
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: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -919.764598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.764598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.764598 (E_RNA)
where:
Base-Base interactions energy: -642.931
where: short stacking energy: -286.801
Base-Backbone interact. energy: -1.625
local terms energy: -275.209191
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -56.592
flat angles P-C4'-P energy: -37.987
tors. eta vs tors. theta energy: -85.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -906.134334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.134334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.134334 (E_RNA)
where:
Base-Base interactions energy: -632.406
where: short stacking energy: -267.715
Base-Backbone interact. energy: 2.284
local terms energy: -276.012779
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -51.119
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -80.211
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -834.457679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.457679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.457679 (E_RNA)
where:
Base-Base interactions energy: -579.300
where: short stacking energy: -239.208
Base-Backbone interact. energy: -0.854
local terms energy: -254.302766
where:
bonds (distance) C4'-P energy: -48.783
bonds (distance) P-C4' energy: -53.795
flat angles C4'-P-C4' energy: -51.796
flat angles P-C4'-P energy: -35.030
tors. eta vs tors. theta energy: -64.898
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: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -752.296112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.296112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.296112 (E_RNA)
where:
Base-Base interactions energy: -526.965
where: short stacking energy: -222.301
Base-Backbone interact. energy: -0.711
local terms energy: -224.620046
where:
bonds (distance) C4'-P energy: -37.298
bonds (distance) P-C4' energy: -48.222
flat angles C4'-P-C4' energy: -48.152
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -54.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -760.567632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.567632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.567632 (E_RNA)
where:
Base-Base interactions energy: -529.596
where: short stacking energy: -202.958
Base-Backbone interact. energy: 0.863
local terms energy: -231.834486
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -36.977
tors. eta vs tors. theta energy: -59.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -672.098666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.098666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.098666 (E_RNA)
where:
Base-Base interactions energy: -467.522
where: short stacking energy: -195.102
Base-Backbone interact. energy: -0.059
local terms energy: -204.517268
where:
bonds (distance) C4'-P energy: -31.507
bonds (distance) P-C4' energy: -37.820
flat angles C4'-P-C4' energy: -53.325
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -42.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -578.809398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.809398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.809398 (E_RNA)
where:
Base-Base interactions energy: -380.170
where: short stacking energy: -167.183
Base-Backbone interact. energy: 3.357
local terms energy: -201.996515
where:
bonds (distance) C4'-P energy: -40.558
bonds (distance) P-C4' energy: -37.644
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: -44.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -280.394838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.394838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.394838 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -78.946
Base-Backbone interact. energy: 0.145
local terms energy: -138.235334
where:
bonds (distance) C4'-P energy: -41.582
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -5.373
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -974.429803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.429803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.429803 (E_RNA)
where:
Base-Base interactions energy: -670.747
where: short stacking energy: -284.936
Base-Backbone interact. energy: -1.821
local terms energy: -301.861993
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -52.116
flat angles C4'-P-C4' energy: -61.355
flat angles P-C4'-P energy: -42.032
tors. eta vs tors. theta energy: -95.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -936.885821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.885821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.885821 (E_RNA)
where:
Base-Base interactions energy: -666.392
where: short stacking energy: -268.190
Base-Backbone interact. energy: -0.958
local terms energy: -269.535957
where:
bonds (distance) C4'-P energy: -47.863
bonds (distance) P-C4' energy: -45.821
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -42.560
tors. eta vs tors. theta energy: -80.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -938.654171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.654171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.654171 (E_RNA)
where:
Base-Base interactions energy: -658.838
where: short stacking energy: -274.457
Base-Backbone interact. energy: 0.443
local terms energy: -280.259851
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -43.249
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: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -885.837739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.837739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.837739 (E_RNA)
where:
Base-Base interactions energy: -621.445
where: short stacking energy: -249.324
Base-Backbone interact. energy: -1.253
local terms energy: -263.139651
where:
bonds (distance) C4'-P energy: -43.650
bonds (distance) P-C4' energy: -56.970
flat angles C4'-P-C4' energy: -47.441
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -72.054
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: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -847.298476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.298476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.298476 (E_RNA)
where:
Base-Base interactions energy: -586.159
where: short stacking energy: -250.014
Base-Backbone interact. energy: -1.197
local terms energy: -259.943107
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -57.596
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -77.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -766.002396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.002396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.002396 (E_RNA)
where:
Base-Base interactions energy: -516.594
where: short stacking energy: -234.718
Base-Backbone interact. energy: 0.365
local terms energy: -249.773548
where:
bonds (distance) C4'-P energy: -44.846
bonds (distance) P-C4' energy: -45.904
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -39.447
tors. eta vs tors. theta energy: -66.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -744.204582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.204582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.204582 (E_RNA)
where:
Base-Base interactions energy: -498.125
where: short stacking energy: -210.053
Base-Backbone interact. energy: -0.305
local terms energy: -245.774455
where:
bonds (distance) C4'-P energy: -46.430
bonds (distance) P-C4' energy: -45.676
flat angles C4'-P-C4' energy: -61.732
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -53.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -672.788660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.788660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.788660 (E_RNA)
where:
Base-Base interactions energy: -447.007
where: short stacking energy: -195.366
Base-Backbone interact. energy: -1.294
local terms energy: -224.487608
where:
bonds (distance) C4'-P energy: -49.786
bonds (distance) P-C4' energy: -45.771
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: -50.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -589.509205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.509205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.509205 (E_RNA)
where:
Base-Base interactions energy: -383.511
where: short stacking energy: -166.520
Base-Backbone interact. energy: -0.586
local terms energy: -205.412149
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -45.288
flat angles C4'-P-C4' energy: -43.952
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -38.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -367.093001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.093001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.093001 (E_RNA)
where:
Base-Base interactions energy: -212.848
where: short stacking energy: -88.631
Base-Backbone interact. energy: 0.002
local terms energy: -154.246504
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -49.093
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: 0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -961.625252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.625252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.625252 (E_RNA)
where:
Base-Base interactions energy: -670.495
where: short stacking energy: -279.043
Base-Backbone interact. energy: -2.313
local terms energy: -288.817481
where:
bonds (distance) C4'-P energy: -46.244
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -56.230
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -89.024
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -949.293328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.293328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.293328 (E_RNA)
where:
Base-Base interactions energy: -664.506
where: short stacking energy: -274.150
Base-Backbone interact. energy: -1.105
local terms energy: -283.681905
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -51.145
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -85.898
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: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -911.856446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.856446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.856446 (E_RNA)
where:
Base-Base interactions energy: -621.350
where: short stacking energy: -280.256
Base-Backbone interact. energy: -0.628
local terms energy: -289.877782
where:
bonds (distance) C4'-P energy: -47.214
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -52.787
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -83.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -881.892703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.892703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.892703 (E_RNA)
where:
Base-Base interactions energy: -611.113
where: short stacking energy: -257.799
Base-Backbone interact. energy: -1.763
local terms energy: -269.016803
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -48.852
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -36.785
tors. eta vs tors. theta energy: -78.908
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: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -871.111928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.111928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.111928 (E_RNA)
where:
Base-Base interactions energy: -623.504
where: short stacking energy: -259.374
Base-Backbone interact. energy: -0.672
local terms energy: -246.936037
where:
bonds (distance) C4'-P energy: -40.466
bonds (distance) P-C4' energy: -54.120
flat angles C4'-P-C4' energy: -59.625
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -754.751727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.751727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.751727 (E_RNA)
where:
Base-Base interactions energy: -512.346
where: short stacking energy: -190.895
Base-Backbone interact. energy: -0.828
local terms energy: -241.577875
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -48.110
flat angles C4'-P-C4' energy: -46.642
flat angles P-C4'-P energy: -36.836
tors. eta vs tors. theta energy: -58.280
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: 43
Temperature: 1.200000
Total energy: -757.890179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.890179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.890179 (E_RNA)
where:
Base-Base interactions energy: -513.335
where: short stacking energy: -218.728
Base-Backbone interact. energy: -0.345
local terms energy: -244.210132
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -49.675
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -58.251
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -642.496918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.496918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.496918 (E_RNA)
where:
Base-Base interactions energy: -420.325
where: short stacking energy: -187.695
Base-Backbone interact. energy: 0.172
local terms energy: -222.344103
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -50.560
flat angles C4'-P-C4' energy: -42.785
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -48.832
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: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -566.295403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.295403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.295403 (E_RNA)
where:
Base-Base interactions energy: -374.226
where: short stacking energy: -164.330
Base-Backbone interact. energy: -0.843
local terms energy: -191.225970
where:
bonds (distance) C4'-P energy: -41.634
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -31.901
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: 43
Temperature: 1.350000
Total energy: -348.913618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.913618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.913618 (E_RNA)
where:
Base-Base interactions energy: -172.068
where: short stacking energy: -93.146
Base-Backbone interact. energy: 0.217
local terms energy: -177.062687
where:
bonds (distance) C4'-P energy: -44.699
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -15.084
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: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -972.019626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.019626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.019626 (E_RNA)
where:
Base-Base interactions energy: -669.706
where: short stacking energy: -290.547
Base-Backbone interact. energy: -0.187
local terms energy: -302.126823
where:
bonds (distance) C4'-P energy: -50.663
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -62.155
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -90.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -949.250348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.250348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.250348 (E_RNA)
where:
Base-Base interactions energy: -650.390
where: short stacking energy: -269.699
Base-Backbone interact. energy: -1.190
local terms energy: -297.670686
where:
bonds (distance) C4'-P energy: -47.825
bonds (distance) P-C4' energy: -61.686
flat angles C4'-P-C4' energy: -61.073
flat angles P-C4'-P energy: -41.280
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: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -894.349739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.349739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.349739 (E_RNA)
where:
Base-Base interactions energy: -632.807
where: short stacking energy: -260.200
Base-Backbone interact. energy: -0.382
local terms energy: -261.160995
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -76.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -863.188521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.188521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.188521 (E_RNA)
where:
Base-Base interactions energy: -594.649
where: short stacking energy: -257.796
Base-Backbone interact. energy: -0.941
local terms energy: -267.598244
where:
bonds (distance) C4'-P energy: -49.741
bonds (distance) P-C4' energy: -44.772
flat angles C4'-P-C4' energy: -57.900
flat angles P-C4'-P energy: -40.176
tors. eta vs tors. theta energy: -75.009
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -856.071155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.071155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.071155 (E_RNA)
where:
Base-Base interactions energy: -590.771
where: short stacking energy: -236.715
Base-Backbone interact. energy: -1.823
local terms energy: -263.477154
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -43.198
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -72.251
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: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -742.180939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.180939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.180939 (E_RNA)
where:
Base-Base interactions energy: -512.417
where: short stacking energy: -213.526
Base-Backbone interact. energy: 0.973
local terms energy: -230.737244
where:
bonds (distance) C4'-P energy: -55.120
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -26.014
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: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -753.776639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.776639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.776639 (E_RNA)
where:
Base-Base interactions energy: -507.953
where: short stacking energy: -207.169
Base-Backbone interact. energy: -0.592
local terms energy: -245.231955
where:
bonds (distance) C4'-P energy: -42.620
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: -68.319
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -654.852596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.852596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.852596 (E_RNA)
where:
Base-Base interactions energy: -448.880
where: short stacking energy: -189.376
Base-Backbone interact. energy: -0.438
local terms energy: -205.533839
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -32.151
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -37.093
tors. eta vs tors. theta energy: -52.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -586.309366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.309366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.309366 (E_RNA)
where:
Base-Base interactions energy: -387.093
where: short stacking energy: -167.290
Base-Backbone interact. energy: 0.929
local terms energy: -200.144926
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -46.192
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -40.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -348.287155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.287155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.287155 (E_RNA)
where:
Base-Base interactions energy: -178.937
where: short stacking energy: -94.439
Base-Backbone interact. energy: -0.713
local terms energy: -168.637210
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -39.887
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -962.482461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.482461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.482461 (E_RNA)
where:
Base-Base interactions energy: -667.409
where: short stacking energy: -290.905
Base-Backbone interact. energy: -0.261
local terms energy: -294.812312
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -62.299
flat angles P-C4'-P energy: -34.842
tors. eta vs tors. theta energy: -91.273
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: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -942.249881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.249881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.249881 (E_RNA)
where:
Base-Base interactions energy: -655.904
where: short stacking energy: -285.063
Base-Backbone interact. energy: 5.960
local terms energy: -292.306551
where:
bonds (distance) C4'-P energy: -54.219
bonds (distance) P-C4' energy: -49.791
flat angles C4'-P-C4' energy: -63.828
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -84.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -893.925353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.925353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.925353 (E_RNA)
where:
Base-Base interactions energy: -612.735
where: short stacking energy: -272.505
Base-Backbone interact. energy: -1.367
local terms energy: -279.823094
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -46.948
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -43.302
tors. eta vs tors. theta energy: -78.260
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: 45
Temperature: 1.050000
Total energy: -851.720190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.720190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.720190 (E_RNA)
where:
Base-Base interactions energy: -612.487
where: short stacking energy: -253.255
Base-Backbone interact. energy: 0.793
local terms energy: -240.025670
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -51.035
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -68.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -849.772725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.772725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.772725 (E_RNA)
where:
Base-Base interactions energy: -593.332
where: short stacking energy: -247.558
Base-Backbone interact. energy: 0.433
local terms energy: -256.873833
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -48.483
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: -82.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -750.314401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.314401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.314401 (E_RNA)
where:
Base-Base interactions energy: -511.289
where: short stacking energy: -209.774
Base-Backbone interact. energy: -1.330
local terms energy: -237.695089
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -51.313
flat angles C4'-P-C4' energy: -52.619
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -55.462
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -734.060739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.060739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.060739 (E_RNA)
where:
Base-Base interactions energy: -503.583
where: short stacking energy: -206.383
Base-Backbone interact. energy: -1.155
local terms energy: -229.321789
where:
bonds (distance) C4'-P energy: -57.959
bonds (distance) P-C4' energy: -45.425
flat angles C4'-P-C4' energy: -35.034
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -56.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -644.009788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.009788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.009788 (E_RNA)
where:
Base-Base interactions energy: -425.088
where: short stacking energy: -177.979
Base-Backbone interact. energy: -1.033
local terms energy: -217.888061
where:
bonds (distance) C4'-P energy: -42.193
bonds (distance) P-C4' energy: -52.387
flat angles C4'-P-C4' energy: -50.056
flat angles P-C4'-P energy: -34.049
tors. eta vs tors. theta energy: -39.203
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: 45
Temperature: 1.300000
Total energy: -582.072224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.072224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.072224 (E_RNA)
where:
Base-Base interactions energy: -396.291
where: short stacking energy: -167.516
Base-Backbone interact. energy: 0.281
local terms energy: -186.062156
where:
bonds (distance) C4'-P energy: -38.454
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -47.982
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -40.961
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: 45
Temperature: 1.350000
Total energy: -327.151753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.151753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.151753 (E_RNA)
where:
Base-Base interactions energy: -162.713
where: short stacking energy: -92.068
Base-Backbone interact. energy: -0.771
local terms energy: -163.668199
where:
bonds (distance) C4'-P energy: -47.338
bonds (distance) P-C4' energy: -46.986
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -977.026877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.026877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.026877 (E_RNA)
where:
Base-Base interactions energy: -661.719
where: short stacking energy: -280.744
Base-Backbone interact. energy: -1.324
local terms energy: -313.983857
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -60.377
flat angles C4'-P-C4' energy: -63.331
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -88.235
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: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -955.580683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.580683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.580683 (E_RNA)
where:
Base-Base interactions energy: -664.274
where: short stacking energy: -267.004
Base-Backbone interact. energy: 1.923
local terms energy: -293.230061
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -57.677
flat angles C4'-P-C4' energy: -57.990
flat angles P-C4'-P energy: -45.187
tors. eta vs tors. theta energy: -80.138
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -891.442763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.442763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.442763 (E_RNA)
where:
Base-Base interactions energy: -621.164
where: short stacking energy: -247.398
Base-Backbone interact. energy: -1.455
local terms energy: -268.823720
where:
bonds (distance) C4'-P energy: -53.512
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -73.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -855.587634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.587634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.587634 (E_RNA)
where:
Base-Base interactions energy: -597.264
where: short stacking energy: -240.699
Base-Backbone interact. energy: -1.013
local terms energy: -257.310004
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -52.469
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -71.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -839.565291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.565291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.565291 (E_RNA)
where:
Base-Base interactions energy: -591.400
where: short stacking energy: -245.363
Base-Backbone interact. energy: -0.223
local terms energy: -247.941687
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -53.162
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -66.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -783.591938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.591938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.591938 (E_RNA)
where:
Base-Base interactions energy: -535.126
where: short stacking energy: -208.768
Base-Backbone interact. energy: -0.701
local terms energy: -247.764712
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -64.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -694.819518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.819518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.819518 (E_RNA)
where:
Base-Base interactions energy: -456.991
where: short stacking energy: -178.890
Base-Backbone interact. energy: -1.666
local terms energy: -236.162580
where:
bonds (distance) C4'-P energy: -50.451
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -58.077
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -42.320
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: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -598.900310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.900310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.900310 (E_RNA)
where:
Base-Base interactions energy: -391.272
where: short stacking energy: -181.309
Base-Backbone interact. energy: 8.212
local terms energy: -215.839430
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -54.756
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -43.739
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: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -591.537148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.537148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.537148 (E_RNA)
where:
Base-Base interactions energy: -393.544
where: short stacking energy: -186.449
Base-Backbone interact. energy: -0.577
local terms energy: -197.416125
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -32.206
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -282.227445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.227445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.227445 (E_RNA)
where:
Base-Base interactions energy: -128.837
where: short stacking energy: -84.714
Base-Backbone interact. energy: 0.462
local terms energy: -153.852082
where:
bonds (distance) C4'-P energy: -34.129
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -38.620
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -979.171362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.171362 (E_RNA)
where:
Base-Base interactions energy: -683.675
where: short stacking energy: -294.114
Base-Backbone interact. energy: -1.098
local terms energy: -294.398378
where:
bonds (distance) C4'-P energy: -54.527
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -42.876
tors. eta vs tors. theta energy: -91.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -960.500729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.500729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.500729 (E_RNA)
where:
Base-Base interactions energy: -661.684
where: short stacking energy: -264.709
Base-Backbone interact. energy: -1.776
local terms energy: -297.040622
where:
bonds (distance) C4'-P energy: -56.694
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -61.023
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -85.560
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: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -916.311424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.311424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.311424 (E_RNA)
where:
Base-Base interactions energy: -647.630
where: short stacking energy: -263.439
Base-Backbone interact. energy: -0.921
local terms energy: -267.760431
where:
bonds (distance) C4'-P energy: -53.693
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -74.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -864.153911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.153911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.153911 (E_RNA)
where:
Base-Base interactions energy: -610.382
where: short stacking energy: -261.948
Base-Backbone interact. energy: 2.290
local terms energy: -256.061978
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -73.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -816.828741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.828741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.828741 (E_RNA)
where:
Base-Base interactions energy: -562.564
where: short stacking energy: -228.667
Base-Backbone interact. energy: -0.802
local terms energy: -253.462649
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -57.206
flat angles P-C4'-P energy: -33.450
tors. eta vs tors. theta energy: -66.399
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: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -810.276334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.276334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.276334 (E_RNA)
where:
Base-Base interactions energy: -561.784
where: short stacking energy: -234.495
Base-Backbone interact. energy: -1.325
local terms energy: -247.167617
where:
bonds (distance) C4'-P energy: -43.001
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -49.027
flat angles P-C4'-P energy: -33.899
tors. eta vs tors. theta energy: -67.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -714.870126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.870126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.870126 (E_RNA)
where:
Base-Base interactions energy: -481.343
where: short stacking energy: -204.531
Base-Backbone interact. energy: -0.011
local terms energy: -233.516277
where:
bonds (distance) C4'-P energy: -46.037
bonds (distance) P-C4' energy: -50.799
flat angles C4'-P-C4' energy: -44.443
flat angles P-C4'-P energy: -37.179
tors. eta vs tors. theta energy: -55.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -600.415754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.415754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.415754 (E_RNA)
where:
Base-Base interactions energy: -388.112
where: short stacking energy: -163.199
Base-Backbone interact. energy: -0.825
local terms energy: -211.478611
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -52.094
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -37.107
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: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -569.993609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.993609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.993609 (E_RNA)
where:
Base-Base interactions energy: -384.893
where: short stacking energy: -160.336
Base-Backbone interact. energy: -0.259
local terms energy: -184.841780
where:
bonds (distance) C4'-P energy: -42.620
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -42.877
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: 47
Temperature: 1.350000
Total energy: -217.777909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.777909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.777909 (E_RNA)
where:
Base-Base interactions energy: -76.706
where: short stacking energy: -56.373
Base-Backbone interact. energy: 1.846
local terms energy: -142.917498
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -26.639
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: 3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -978.414475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.414475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.414475 (E_RNA)
where:
Base-Base interactions energy: -669.160
where: short stacking energy: -288.101
Base-Backbone interact. energy: -1.482
local terms energy: -307.773302
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -63.977
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: -91.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -933.068998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.068998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.068998 (E_RNA)
where:
Base-Base interactions energy: -645.559
where: short stacking energy: -280.010
Base-Backbone interact. energy: -0.669
local terms energy: -286.840770
where:
bonds (distance) C4'-P energy: -37.432
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -63.124
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -85.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -869.930778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.930778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.930778 (E_RNA)
where:
Base-Base interactions energy: -611.757
where: short stacking energy: -264.279
Base-Backbone interact. energy: -0.308
local terms energy: -257.866191
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -45.305
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: -68.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -875.560800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.560800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.560800 (E_RNA)
where:
Base-Base interactions energy: -606.314
where: short stacking energy: -263.398
Base-Backbone interact. energy: -0.873
local terms energy: -268.373964
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -54.737
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -79.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -824.093235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.093235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.093235 (E_RNA)
where:
Base-Base interactions energy: -576.728
where: short stacking energy: -235.060
Base-Backbone interact. energy: -0.074
local terms energy: -247.290735
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -45.390
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -802.808972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.808972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.808972 (E_RNA)
where:
Base-Base interactions energy: -547.634
where: short stacking energy: -240.138
Base-Backbone interact. energy: 1.419
local terms energy: -256.594620
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -56.113
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -68.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -694.458677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.458677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.458677 (E_RNA)
where:
Base-Base interactions energy: -486.778
where: short stacking energy: -201.051
Base-Backbone interact. energy: -0.883
local terms energy: -206.798166
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -36.107
flat angles C4'-P-C4' energy: -41.029
flat angles P-C4'-P energy: -32.052
tors. eta vs tors. theta energy: -52.770
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -620.568021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.568021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.568021 (E_RNA)
where:
Base-Base interactions energy: -390.619
where: short stacking energy: -178.270
Base-Backbone interact. energy: -0.320
local terms energy: -229.628309
where:
bonds (distance) C4'-P energy: -43.014
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -53.677
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -47.477
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: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -557.463200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.463200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.463200 (E_RNA)
where:
Base-Base interactions energy: -368.249
where: short stacking energy: -141.148
Base-Backbone interact. energy: -0.566
local terms energy: -188.648280
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -20.598
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: 48
Temperature: 1.350000
Total energy: -228.357372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.357372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.357372 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -75.711
Base-Backbone interact. energy: -0.426
local terms energy: -138.128932
where:
bonds (distance) C4'-P energy: -50.164
bonds (distance) P-C4' energy: -54.959
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: 1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -972.174647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.174647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.174647 (E_RNA)
where:
Base-Base interactions energy: -681.905
where: short stacking energy: -294.409
Base-Backbone interact. energy: -0.553
local terms energy: -289.717583
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -59.319
flat angles P-C4'-P energy: -40.853
tors. eta vs tors. theta energy: -89.553
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: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -935.010070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.010070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.010070 (E_RNA)
where:
Base-Base interactions energy: -656.260
where: short stacking energy: -296.100
Base-Backbone interact. energy: -0.692
local terms energy: -278.058052
where:
bonds (distance) C4'-P energy: -54.968
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -52.556
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: -84.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -863.523945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.523945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.523945 (E_RNA)
where:
Base-Base interactions energy: -594.341
where: short stacking energy: -236.780
Base-Backbone interact. energy: -1.339
local terms energy: -267.844024
where:
bonds (distance) C4'-P energy: -42.051
bonds (distance) P-C4' energy: -59.044
flat angles C4'-P-C4' energy: -57.747
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -67.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -833.401811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.401811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.401811 (E_RNA)
where:
Base-Base interactions energy: -576.003
where: short stacking energy: -240.327
Base-Backbone interact. energy: -0.855
local terms energy: -256.543922
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -55.838
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -75.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -838.641584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.641584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.641584 (E_RNA)
where:
Base-Base interactions energy: -587.166
where: short stacking energy: -239.564
Base-Backbone interact. energy: 1.159
local terms energy: -252.634529
where:
bonds (distance) C4'-P energy: -45.431
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -62.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -796.273415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.273415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.273415 (E_RNA)
where:
Base-Base interactions energy: -564.168
where: short stacking energy: -242.450
Base-Backbone interact. energy: -0.680
local terms energy: -231.425925
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -35.081
flat angles C4'-P-C4' energy: -51.710
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -77.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -729.751007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.751007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.751007 (E_RNA)
where:
Base-Base interactions energy: -502.626
where: short stacking energy: -218.108
Base-Backbone interact. energy: -0.175
local terms energy: -226.949828
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -61.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -622.835058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.835058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.835058 (E_RNA)
where:
Base-Base interactions energy: -411.034
where: short stacking energy: -178.393
Base-Backbone interact. energy: -0.036
local terms energy: -211.765469
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -58.054
flat angles C4'-P-C4' energy: -50.955
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -37.681
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: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -604.079396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.079396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.079396 (E_RNA)
where:
Base-Base interactions energy: -381.535
where: short stacking energy: -165.904
Base-Backbone interact. energy: -0.674
local terms energy: -221.870571
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -52.409
flat angles C4'-P-C4' energy: -48.263
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: -45.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -233.064502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.064502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.064502 (E_RNA)
where:
Base-Base interactions energy: -92.048
where: short stacking energy: -75.343
Base-Backbone interact. energy: 1.661
local terms energy: -142.676963
where:
bonds (distance) C4'-P energy: -39.789
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -40.199
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: 4.784
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -960.903864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.903864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.903864 (E_RNA)
where:
Base-Base interactions energy: -657.297
where: short stacking energy: -304.208
Base-Backbone interact. energy: 0.687
local terms energy: -304.294151
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -60.514
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -87.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -947.870604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.870604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.870604 (E_RNA)
where:
Base-Base interactions energy: -653.043
where: short stacking energy: -284.571
Base-Backbone interact. energy: -0.563
local terms energy: -294.264015
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -52.443
flat angles C4'-P-C4' energy: -57.317
flat angles P-C4'-P energy: -47.367
tors. eta vs tors. theta energy: -87.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -878.764451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.764451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.764451 (E_RNA)
where:
Base-Base interactions energy: -604.287
where: short stacking energy: -239.564
Base-Backbone interact. energy: -2.195
local terms energy: -272.283276
where:
bonds (distance) C4'-P energy: -44.457
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -60.743
flat angles P-C4'-P energy: -34.379
tors. eta vs tors. theta energy: -75.953
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: 50
Temperature: 1.050000
Total energy: -830.031124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.031124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.031124 (E_RNA)
where:
Base-Base interactions energy: -576.627
where: short stacking energy: -236.927
Base-Backbone interact. energy: 4.158
local terms energy: -257.562132
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -73.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -847.274316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.274316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.274316 (E_RNA)
where:
Base-Base interactions energy: -573.166
where: short stacking energy: -251.195
Base-Backbone interact. energy: -1.097
local terms energy: -273.011957
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -80.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -805.497066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.497066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.497066 (E_RNA)
where:
Base-Base interactions energy: -566.604
where: short stacking energy: -225.489
Base-Backbone interact. energy: -0.593
local terms energy: -238.299983
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: -66.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -727.050446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.050446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.050446 (E_RNA)
where:
Base-Base interactions energy: -510.322
where: short stacking energy: -221.349
Base-Backbone interact. energy: -0.496
local terms energy: -216.232755
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -46.280
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -56.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -665.508085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.508085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.508085 (E_RNA)
where:
Base-Base interactions energy: -450.049
where: short stacking energy: -196.914
Base-Backbone interact. energy: -2.004
local terms energy: -213.454806
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -49.791
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -45.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -639.549193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.549193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.549193 (E_RNA)
where:
Base-Base interactions energy: -439.088
where: short stacking energy: -179.367
Base-Backbone interact. energy: -1.473
local terms energy: -198.987592
where:
bonds (distance) C4'-P energy: -43.537
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -52.969
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -45.383
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: 50
Temperature: 1.350000
Total energy: -237.666762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.666762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.666762 (E_RNA)
where:
Base-Base interactions energy: -101.316
where: short stacking energy: -53.725
Base-Backbone interact. energy: 0.616
local terms energy: -136.966874
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: 4.823
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: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -957.835174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.835174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.835174 (E_RNA)
where:
Base-Base interactions energy: -677.998
where: short stacking energy: -286.435
Base-Backbone interact. energy: 6.080
local terms energy: -285.917198
where:
bonds (distance) C4'-P energy: -51.551
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -36.154
tors. eta vs tors. theta energy: -84.284
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: 51
Temperature: 0.950000
Total energy: -949.550235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.550235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.550235 (E_RNA)
where:
Base-Base interactions energy: -661.825
where: short stacking energy: -289.814
Base-Backbone interact. energy: 0.755
local terms energy: -288.480200
where:
bonds (distance) C4'-P energy: -48.588
bonds (distance) P-C4' energy: -52.389
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -86.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -878.338150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.338150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.338150 (E_RNA)
where:
Base-Base interactions energy: -604.077
where: short stacking energy: -254.230
Base-Backbone interact. energy: -1.328
local terms energy: -272.933612
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -54.605
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -33.822
tors. eta vs tors. theta energy: -74.909
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: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -881.167936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.167936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.167936 (E_RNA)
where:
Base-Base interactions energy: -616.357
where: short stacking energy: -260.282
Base-Backbone interact. energy: -0.388
local terms energy: -264.422351
where:
bonds (distance) C4'-P energy: -31.346
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -58.829
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -80.041
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: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -780.379035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.379035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.379035 (E_RNA)
where:
Base-Base interactions energy: -543.729
where: short stacking energy: -221.938
Base-Backbone interact. energy: 0.829
local terms energy: -237.479333
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -27.334
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: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -782.182896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.182896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.182896 (E_RNA)
where:
Base-Base interactions energy: -530.612
where: short stacking energy: -233.646
Base-Backbone interact. energy: 0.956
local terms energy: -252.527125
where:
bonds (distance) C4'-P energy: -46.718
bonds (distance) P-C4' energy: -50.149
flat angles C4'-P-C4' energy: -52.976
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -61.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -736.266369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.266369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.266369 (E_RNA)
where:
Base-Base interactions energy: -498.271
where: short stacking energy: -211.211
Base-Backbone interact. energy: -0.846
local terms energy: -237.149174
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -50.860
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -58.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -628.582234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.582234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.582234 (E_RNA)
where:
Base-Base interactions energy: -435.253
where: short stacking energy: -177.787
Base-Backbone interact. energy: -0.921
local terms energy: -192.408469
where:
bonds (distance) C4'-P energy: -40.651
bonds (distance) P-C4' energy: -36.426
flat angles C4'-P-C4' energy: -49.017
flat angles P-C4'-P energy: -25.500
tors. eta vs tors. theta energy: -40.814
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: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -617.509802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.509802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.509802 (E_RNA)
where:
Base-Base interactions energy: -423.711
where: short stacking energy: -183.748
Base-Backbone interact. energy: 0.069
local terms energy: -193.867075
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -40.810
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -45.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -249.024606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.024606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.024606 (E_RNA)
where:
Base-Base interactions energy: -82.850
where: short stacking energy: -73.585
Base-Backbone interact. energy: 0.034
local terms energy: -166.208309
where:
bonds (distance) C4'-P energy: -41.512
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -40.997
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: -4.828
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: 52
Temperature: 0.900000
Total energy: -977.674726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.674726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.674726 (E_RNA)
where:
Base-Base interactions energy: -672.106
where: short stacking energy: -290.404
Base-Backbone interact. energy: -0.825
local terms energy: -304.743837
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -59.992
flat angles P-C4'-P energy: -45.368
tors. eta vs tors. theta energy: -90.641
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: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -953.996551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.996551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.996551 (E_RNA)
where:
Base-Base interactions energy: -662.732
where: short stacking energy: -271.579
Base-Backbone interact. energy: -0.971
local terms energy: -290.293434
where:
bonds (distance) C4'-P energy: -51.857
bonds (distance) P-C4' energy: -51.908
flat angles C4'-P-C4' energy: -61.475
flat angles P-C4'-P energy: -39.336
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -858.529432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.529432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.529432 (E_RNA)
where:
Base-Base interactions energy: -591.599
where: short stacking energy: -249.249
Base-Backbone interact. energy: -1.052
local terms energy: -265.878480
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -59.473
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -75.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -904.591418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.591418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.591418 (E_RNA)
where:
Base-Base interactions energy: -630.670
where: short stacking energy: -264.376
Base-Backbone interact. energy: -1.643
local terms energy: -272.278010
where:
bonds (distance) C4'-P energy: -45.782
bonds (distance) P-C4' energy: -50.874
flat angles C4'-P-C4' energy: -54.504
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -80.745
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: 52
Temperature: 1.100000
Total energy: -843.978762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.978762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.978762 (E_RNA)
where:
Base-Base interactions energy: -593.482
where: short stacking energy: -239.413
Base-Backbone interact. energy: 1.771
local terms energy: -252.267559
where:
bonds (distance) C4'-P energy: -54.839
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -68.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -799.101917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.101917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.101917 (E_RNA)
where:
Base-Base interactions energy: -548.623
where: short stacking energy: -237.301
Base-Backbone interact. energy: -1.245
local terms energy: -249.233985
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -53.708
flat angles C4'-P-C4' energy: -60.893
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -67.668
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: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -715.520832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.520832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.520832 (E_RNA)
where:
Base-Base interactions energy: -494.334
where: short stacking energy: -214.669
Base-Backbone interact. energy: 2.365
local terms energy: -223.551912
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -44.849
flat angles C4'-P-C4' energy: -51.997
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -51.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -615.220765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.220765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.220765 (E_RNA)
where:
Base-Base interactions energy: -397.677
where: short stacking energy: -169.222
Base-Backbone interact. energy: -0.811
local terms energy: -216.732297
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -48.514
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -40.099
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: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -625.774637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.774637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.774637 (E_RNA)
where:
Base-Base interactions energy: -416.997
where: short stacking energy: -169.467
Base-Backbone interact. energy: -0.507
local terms energy: -208.270745
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -46.297
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -38.720
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: 52
Temperature: 1.350000
Total energy: -209.804613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.804613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.804613 (E_RNA)
where:
Base-Base interactions energy: -49.892
where: short stacking energy: -39.505
Base-Backbone interact. energy: -1.583
local terms energy: -158.329653
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: 9.612
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: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -965.690931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.690931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.690931 (E_RNA)
where:
Base-Base interactions energy: -677.736
where: short stacking energy: -289.795
Base-Backbone interact. energy: -0.613
local terms energy: -287.341832
where:
bonds (distance) C4'-P energy: -43.448
bonds (distance) P-C4' energy: -54.865
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -85.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -938.881069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.881069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.881069 (E_RNA)
where:
Base-Base interactions energy: -640.504
where: short stacking energy: -278.126
Base-Backbone interact. energy: -1.978
local terms energy: -296.398796
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -80.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -888.960966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.960966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.960966 (E_RNA)
where:
Base-Base interactions energy: -632.951
where: short stacking energy: -248.627
Base-Backbone interact. energy: -0.438
local terms energy: -255.572352
where:
bonds (distance) C4'-P energy: -47.568
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -50.952
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -74.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -894.497951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.497951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.497951 (E_RNA)
where:
Base-Base interactions energy: -627.375
where: short stacking energy: -254.912
Base-Backbone interact. energy: 0.885
local terms energy: -268.007682
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -47.544
flat angles C4'-P-C4' energy: -52.899
flat angles P-C4'-P energy: -41.166
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: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -800.730827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.730827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.730827 (E_RNA)
where:
Base-Base interactions energy: -563.873
where: short stacking energy: -224.069
Base-Backbone interact. energy: -0.969
local terms energy: -235.889237
where:
bonds (distance) C4'-P energy: -36.877
bonds (distance) P-C4' energy: -56.786
flat angles C4'-P-C4' energy: -50.607
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -59.715
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: 53
Temperature: 1.150000
Total energy: -771.743877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.743877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.743877 (E_RNA)
where:
Base-Base interactions energy: -525.014
where: short stacking energy: -223.141
Base-Backbone interact. energy: -1.298
local terms energy: -245.432249
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -50.216
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -60.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -761.214024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.214024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.214024 (E_RNA)
where:
Base-Base interactions energy: -543.243
where: short stacking energy: -219.158
Base-Backbone interact. energy: 1.381
local terms energy: -219.352630
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -40.665
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -62.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -626.704045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.704045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.704045 (E_RNA)
where:
Base-Base interactions energy: -423.718
where: short stacking energy: -175.504
Base-Backbone interact. energy: -2.339
local terms energy: -200.647388
where:
bonds (distance) C4'-P energy: -42.000
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -42.652
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -41.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -582.349411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.349411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.349411 (E_RNA)
where:
Base-Base interactions energy: -371.995
where: short stacking energy: -155.181
Base-Backbone interact. energy: 1.071
local terms energy: -211.425483
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -47.913
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -37.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -225.281338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.281338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.281338 (E_RNA)
where:
Base-Base interactions energy: -87.942
where: short stacking energy: -61.348
Base-Backbone interact. energy: -2.118
local terms energy: -135.220513
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -39.215
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: 4.213
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: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -969.023238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.023238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.023238 (E_RNA)
where:
Base-Base interactions energy: -677.868
where: short stacking energy: -297.900
Base-Backbone interact. energy: -1.248
local terms energy: -289.906948
where:
bonds (distance) C4'-P energy: -52.503
bonds (distance) P-C4' energy: -49.385
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -89.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -938.062753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.062753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.062753 (E_RNA)
where:
Base-Base interactions energy: -655.131
where: short stacking energy: -271.007
Base-Backbone interact. energy: -0.215
local terms energy: -282.716674
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -55.585
flat angles C4'-P-C4' energy: -60.875
flat angles P-C4'-P energy: -37.272
tors. eta vs tors. theta energy: -87.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -900.636042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.636042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.636042 (E_RNA)
where:
Base-Base interactions energy: -628.873
where: short stacking energy: -252.129
Base-Backbone interact. energy: -0.820
local terms energy: -270.943566
where:
bonds (distance) C4'-P energy: -48.700
bonds (distance) P-C4' energy: -49.800
flat angles C4'-P-C4' energy: -58.505
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -71.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -859.862912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.862912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.862912 (E_RNA)
where:
Base-Base interactions energy: -589.854
where: short stacking energy: -249.646
Base-Backbone interact. energy: -0.149
local terms energy: -269.860466
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -34.766
tors. eta vs tors. theta energy: -78.096
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -822.863060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.863060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.863060 (E_RNA)
where:
Base-Base interactions energy: -572.805
where: short stacking energy: -247.031
Base-Backbone interact. energy: -0.750
local terms energy: -249.307828
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -50.972
flat angles C4'-P-C4' energy: -48.718
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -71.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -764.119273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.119273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.119273 (E_RNA)
where:
Base-Base interactions energy: -530.941
where: short stacking energy: -210.301
Base-Backbone interact. energy: 0.017
local terms energy: -233.194805
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -53.019
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -59.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -774.166546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.166546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.166546 (E_RNA)
where:
Base-Base interactions energy: -553.325
where: short stacking energy: -227.342
Base-Backbone interact. energy: -1.619
local terms energy: -219.222091
where:
bonds (distance) C4'-P energy: -37.664
bonds (distance) P-C4' energy: -40.215
flat angles C4'-P-C4' energy: -46.093
flat angles P-C4'-P energy: -29.481
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: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -590.306585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.306585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.306585 (E_RNA)
where:
Base-Base interactions energy: -386.773
where: short stacking energy: -163.684
Base-Backbone interact. energy: -1.597
local terms energy: -201.936925
where:
bonds (distance) C4'-P energy: -39.072
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -34.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -607.034180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.034180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.034180 (E_RNA)
where:
Base-Base interactions energy: -426.703
where: short stacking energy: -166.972
Base-Backbone interact. energy: -1.116
local terms energy: -179.215496
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -39.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -227.256107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.256107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.256107 (E_RNA)
where:
Base-Base interactions energy: -91.050
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.253
local terms energy: -135.953613
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -43.379
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: 8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -972.550205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.550205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.550205 (E_RNA)
where:
Base-Base interactions energy: -672.839
where: short stacking energy: -294.574
Base-Backbone interact. energy: -0.500
local terms energy: -299.211851
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -49.142
flat angles C4'-P-C4' energy: -65.954
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -89.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -945.362098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.362098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.362098 (E_RNA)
where:
Base-Base interactions energy: -650.971
where: short stacking energy: -278.066
Base-Backbone interact. energy: -0.993
local terms energy: -293.397855
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -57.734
flat angles P-C4'-P energy: -40.797
tors. eta vs tors. theta energy: -85.235
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: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -937.703414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.703414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.703414 (E_RNA)
where:
Base-Base interactions energy: -666.760
where: short stacking energy: -282.970
Base-Backbone interact. energy: 2.505
local terms energy: -273.448524
where:
bonds (distance) C4'-P energy: -43.158
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -87.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -831.801284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.801284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.801284 (E_RNA)
where:
Base-Base interactions energy: -580.586
where: short stacking energy: -250.662
Base-Backbone interact. energy: -1.142
local terms energy: -250.073833
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -44.164
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -67.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -836.991886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.991886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.991886 (E_RNA)
where:
Base-Base interactions energy: -574.798
where: short stacking energy: -235.240
Base-Backbone interact. energy: -1.390
local terms energy: -260.803347
where:
bonds (distance) C4'-P energy: -44.822
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -58.012
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -76.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -787.041907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.041907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.041907 (E_RNA)
where:
Base-Base interactions energy: -551.814
where: short stacking energy: -238.999
Base-Backbone interact. energy: -0.777
local terms energy: -234.450471
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -46.271
flat angles C4'-P-C4' energy: -42.666
flat angles P-C4'-P energy: -35.321
tors. eta vs tors. theta energy: -69.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -740.514277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.514277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.514277 (E_RNA)
where:
Base-Base interactions energy: -526.552
where: short stacking energy: -208.110
Base-Backbone interact. energy: -0.433
local terms energy: -213.528732
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -43.165
flat angles C4'-P-C4' energy: -36.744
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -62.246
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: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -619.799993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.799993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.799993 (E_RNA)
where:
Base-Base interactions energy: -399.753
where: short stacking energy: -180.686
Base-Backbone interact. energy: -0.561
local terms energy: -219.486204
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -45.038
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -47.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -557.830542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.830542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.830542 (E_RNA)
where:
Base-Base interactions energy: -369.135
where: short stacking energy: -159.028
Base-Backbone interact. energy: -0.771
local terms energy: -187.924187
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -41.417
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -36.719
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: 55
Temperature: 1.350000
Total energy: -225.814494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.814494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.814494 (E_RNA)
where:
Base-Base interactions energy: -79.480
where: short stacking energy: -60.123
Base-Backbone interact. energy: 4.567
local terms energy: -150.901599
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -52.529
flat angles C4'-P-C4' energy: -38.721
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: 5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -982.482432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.482432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.482432 (E_RNA)
where:
Base-Base interactions energy: -672.936
where: short stacking energy: -289.950
Base-Backbone interact. energy: -0.473
local terms energy: -309.073658
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -93.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -944.999937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.999937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.999937 (E_RNA)
where:
Base-Base interactions energy: -647.146
where: short stacking energy: -282.779
Base-Backbone interact. energy: -2.119
local terms energy: -295.734277
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -50.849
flat angles C4'-P-C4' energy: -57.351
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -87.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -899.897411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.897411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.897411 (E_RNA)
where:
Base-Base interactions energy: -619.340
where: short stacking energy: -252.176
Base-Backbone interact. energy: -2.402
local terms energy: -278.155239
where:
bonds (distance) C4'-P energy: -43.366
bonds (distance) P-C4' energy: -56.215
flat angles C4'-P-C4' energy: -60.934
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -76.549
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: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -856.496820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.496820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.496820 (E_RNA)
where:
Base-Base interactions energy: -601.472
where: short stacking energy: -253.235
Base-Backbone interact. energy: -1.076
local terms energy: -253.948558
where:
bonds (distance) C4'-P energy: -43.413
bonds (distance) P-C4' energy: -37.595
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -71.043
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: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -860.945028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.945028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.945028 (E_RNA)
where:
Base-Base interactions energy: -595.544
where: short stacking energy: -258.122
Base-Backbone interact. energy: -1.798
local terms energy: -263.603199
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -45.247
flat angles C4'-P-C4' energy: -52.199
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -79.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -766.122708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.122708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.122708 (E_RNA)
where:
Base-Base interactions energy: -506.546
where: short stacking energy: -206.738
Base-Backbone interact. energy: -0.414
local terms energy: -259.162130
where:
bonds (distance) C4'-P energy: -60.389
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -56.003
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -56.060
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: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -734.241514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.241514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.241514 (E_RNA)
where:
Base-Base interactions energy: -506.286
where: short stacking energy: -209.421
Base-Backbone interact. energy: -1.327
local terms energy: -226.628734
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -51.475
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -60.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -631.226506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.226506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.226506 (E_RNA)
where:
Base-Base interactions energy: -423.375
where: short stacking energy: -169.152
Base-Backbone interact. energy: -1.191
local terms energy: -206.660237
where:
bonds (distance) C4'-P energy: -40.019
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -42.322
flat angles P-C4'-P energy: -31.106
tors. eta vs tors. theta energy: -43.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -603.080675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.080675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.080675 (E_RNA)
where:
Base-Base interactions energy: -406.257
where: short stacking energy: -169.529
Base-Backbone interact. energy: 2.121
local terms energy: -198.945000
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -45.505
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -39.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -244.445631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.445631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.445631 (E_RNA)
where:
Base-Base interactions energy: -100.442
where: short stacking energy: -80.638
Base-Backbone interact. energy: 0.322
local terms energy: -144.325417
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: 4.638
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: 57
Temperature: 0.900000
Total energy: -968.197472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.197472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.197472 (E_RNA)
where:
Base-Base interactions energy: -670.259
where: short stacking energy: -283.715
Base-Backbone interact. energy: 0.729
local terms energy: -298.667188
where:
bonds (distance) C4'-P energy: -51.496
bonds (distance) P-C4' energy: -55.759
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -42.274
tors. eta vs tors. theta energy: -91.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -956.130687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.130687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.130687 (E_RNA)
where:
Base-Base interactions energy: -668.009
where: short stacking energy: -290.962
Base-Backbone interact. energy: -0.554
local terms energy: -287.567782
where:
bonds (distance) C4'-P energy: -54.088
bonds (distance) P-C4' energy: -54.472
flat angles C4'-P-C4' energy: -57.987
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -86.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -885.290976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.290976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.290976 (E_RNA)
where:
Base-Base interactions energy: -607.224
where: short stacking energy: -249.933
Base-Backbone interact. energy: -0.595
local terms energy: -277.471540
where:
bonds (distance) C4'-P energy: -52.640
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -59.852
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -75.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -837.127027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.127027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.127027 (E_RNA)
where:
Base-Base interactions energy: -568.524
where: short stacking energy: -239.176
Base-Backbone interact. energy: -0.691
local terms energy: -267.912177
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -51.358
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -74.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -854.477849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.477849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.477849 (E_RNA)
where:
Base-Base interactions energy: -584.202
where: short stacking energy: -246.691
Base-Backbone interact. energy: 1.869
local terms energy: -272.145345
where:
bonds (distance) C4'-P energy: -50.646
bonds (distance) P-C4' energy: -50.343
flat angles C4'-P-C4' energy: -56.449
flat angles P-C4'-P energy: -40.785
tors. eta vs tors. theta energy: -73.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -740.110751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.110751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.110751 (E_RNA)
where:
Base-Base interactions energy: -506.623
where: short stacking energy: -215.494
Base-Backbone interact. energy: 0.649
local terms energy: -234.136508
where:
bonds (distance) C4'-P energy: -38.026
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -720.275587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.275587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.275587 (E_RNA)
where:
Base-Base interactions energy: -511.516
where: short stacking energy: -196.288
Base-Backbone interact. energy: 1.075
local terms energy: -209.835230
where:
bonds (distance) C4'-P energy: -40.351
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -54.537
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -679.193554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.193554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.193554 (E_RNA)
where:
Base-Base interactions energy: -461.016
where: short stacking energy: -185.742
Base-Backbone interact. energy: -0.380
local terms energy: -217.796976
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -45.235
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -43.696
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: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -534.321771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.321771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.321771 (E_RNA)
where:
Base-Base interactions energy: -336.704
where: short stacking energy: -139.779
Base-Backbone interact. energy: -0.588
local terms energy: -197.029726
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -25.765
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: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -231.137712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.137712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.137712 (E_RNA)
where:
Base-Base interactions energy: -84.680
where: short stacking energy: -79.575
Base-Backbone interact. energy: -0.711
local terms energy: -145.746384
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -963.580064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.580064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.580064 (E_RNA)
where:
Base-Base interactions energy: -665.255
where: short stacking energy: -288.497
Base-Backbone interact. energy: -1.125
local terms energy: -297.200105
where:
bonds (distance) C4'-P energy: -52.366
bonds (distance) P-C4' energy: -53.962
flat angles C4'-P-C4' energy: -59.101
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -86.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -937.922065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.922065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.922065 (E_RNA)
where:
Base-Base interactions energy: -654.814
where: short stacking energy: -272.064
Base-Backbone interact. energy: -1.570
local terms energy: -281.538201
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -46.083
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -40.583
tors. eta vs tors. theta energy: -86.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -911.122539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.122539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.122539 (E_RNA)
where:
Base-Base interactions energy: -620.466
where: short stacking energy: -261.939
Base-Backbone interact. energy: 2.791
local terms energy: -293.446893
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -55.742
flat angles C4'-P-C4' energy: -57.332
flat angles P-C4'-P energy: -45.739
tors. eta vs tors. theta energy: -85.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -862.966036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.966036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.966036 (E_RNA)
where:
Base-Base interactions energy: -587.039
where: short stacking energy: -249.257
Base-Backbone interact. energy: -0.506
local terms energy: -275.420810
where:
bonds (distance) C4'-P energy: -43.448
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -56.372
flat angles P-C4'-P energy: -37.163
tors. eta vs tors. theta energy: -80.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -843.220529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.220529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.220529 (E_RNA)
where:
Base-Base interactions energy: -586.379
where: short stacking energy: -243.263
Base-Backbone interact. energy: -0.541
local terms energy: -256.300369
where:
bonds (distance) C4'-P energy: -53.623
bonds (distance) P-C4' energy: -42.559
flat angles C4'-P-C4' energy: -55.279
flat angles P-C4'-P energy: -39.939
tors. eta vs tors. theta energy: -64.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -751.999386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.999386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.999386 (E_RNA)
where:
Base-Base interactions energy: -515.932
where: short stacking energy: -222.172
Base-Backbone interact. energy: 0.645
local terms energy: -236.712397
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -42.949
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -58.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -745.467369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.467369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.467369 (E_RNA)
where:
Base-Base interactions energy: -514.510
where: short stacking energy: -214.045
Base-Backbone interact. energy: 0.028
local terms energy: -230.985438
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -57.081
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -64.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -691.048521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.048521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.048521 (E_RNA)
where:
Base-Base interactions energy: -466.229
where: short stacking energy: -210.441
Base-Backbone interact. energy: -0.654
local terms energy: -224.165238
where:
bonds (distance) C4'-P energy: -41.338
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -44.999
flat angles P-C4'-P energy: -35.844
tors. eta vs tors. theta energy: -53.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -552.021594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.021594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.021594 (E_RNA)
where:
Base-Base interactions energy: -349.290
where: short stacking energy: -152.771
Base-Backbone interact. energy: -1.880
local terms energy: -200.851185
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -44.257
flat angles C4'-P-C4' energy: -42.909
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -38.236
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: 58
Temperature: 1.350000
Total energy: -242.066303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.066303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.066303 (E_RNA)
where:
Base-Base interactions energy: -85.301
where: short stacking energy: -84.682
Base-Backbone interact. energy: 1.517
local terms energy: -158.281867
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -6.243
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: 59
Temperature: 0.900000
Total energy: -966.757414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.757414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.757414 (E_RNA)
where:
Base-Base interactions energy: -672.928
where: short stacking energy: -284.329
Base-Backbone interact. energy: -0.814
local terms energy: -293.015387
where:
bonds (distance) C4'-P energy: -50.633
bonds (distance) P-C4' energy: -53.193
flat angles C4'-P-C4' energy: -67.670
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -83.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -939.554519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.554519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.554519 (E_RNA)
where:
Base-Base interactions energy: -648.374
where: short stacking energy: -268.647
Base-Backbone interact. energy: -0.698
local terms energy: -290.483189
where:
bonds (distance) C4'-P energy: -55.405
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -64.703
flat angles P-C4'-P energy: -35.709
tors. eta vs tors. theta energy: -80.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -899.294616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.294616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.294616 (E_RNA)
where:
Base-Base interactions energy: -616.549
where: short stacking energy: -259.389
Base-Backbone interact. energy: -1.015
local terms energy: -281.730103
where:
bonds (distance) C4'-P energy: -46.745
bonds (distance) P-C4' energy: -57.619
flat angles C4'-P-C4' energy: -60.117
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -79.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -859.979191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.979191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.979191 (E_RNA)
where:
Base-Base interactions energy: -600.249
where: short stacking energy: -239.161
Base-Backbone interact. energy: -1.020
local terms energy: -258.710577
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -54.029
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: -70.078
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: 59
Temperature: 1.100000
Total energy: -822.281252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.281252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.281252 (E_RNA)
where:
Base-Base interactions energy: -558.321
where: short stacking energy: -232.154
Base-Backbone interact. energy: -0.736
local terms energy: -263.223805
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -49.787
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -74.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -765.499981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.499981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.499981 (E_RNA)
where:
Base-Base interactions energy: -526.674
where: short stacking energy: -225.620
Base-Backbone interact. energy: -0.479
local terms energy: -238.347678
where:
bonds (distance) C4'-P energy: -46.269
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -49.597
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -62.635
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -727.033758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.033758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.033758 (E_RNA)
where:
Base-Base interactions energy: -502.250
where: short stacking energy: -220.557
Base-Backbone interact. energy: -0.108
local terms energy: -224.676309
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -36.870
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -61.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -653.966392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.966392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.966392 (E_RNA)
where:
Base-Base interactions energy: -429.332
where: short stacking energy: -186.497
Base-Backbone interact. energy: -0.730
local terms energy: -223.904214
where:
bonds (distance) C4'-P energy: -46.282
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -47.196
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -47.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -521.798872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.798872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.798872 (E_RNA)
where:
Base-Base interactions energy: -317.740
where: short stacking energy: -132.248
Base-Backbone interact. energy: -1.409
local terms energy: -202.650551
where:
bonds (distance) C4'-P energy: -51.052
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -45.376
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -243.267217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.267217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.267217 (E_RNA)
where:
Base-Base interactions energy: -94.822
where: short stacking energy: -83.486
Base-Backbone interact. energy: -0.380
local terms energy: -148.064413
where:
bonds (distance) C4'-P energy: -40.096
bonds (distance) P-C4' energy: -42.152
flat angles C4'-P-C4' energy: -34.806
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -955.500805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.500805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.500805 (E_RNA)
where:
Base-Base interactions energy: -656.455
where: short stacking energy: -269.420
Base-Backbone interact. energy: -0.500
local terms energy: -298.546014
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -81.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -940.857249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.857249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.857249 (E_RNA)
where:
Base-Base interactions energy: -666.288
where: short stacking energy: -270.015
Base-Backbone interact. energy: -1.092
local terms energy: -273.477171
where:
bonds (distance) C4'-P energy: -43.314
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -79.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -913.714581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.714581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.714581 (E_RNA)
where:
Base-Base interactions energy: -645.469
where: short stacking energy: -273.559
Base-Backbone interact. energy: 0.289
local terms energy: -268.535497
where:
bonds (distance) C4'-P energy: -53.315
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -74.996
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -873.739471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.739471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.739471 (E_RNA)
where:
Base-Base interactions energy: -596.492
where: short stacking energy: -250.670
Base-Backbone interact. energy: -1.251
local terms energy: -275.996244
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -51.998
flat angles C4'-P-C4' energy: -62.503
flat angles P-C4'-P energy: -37.478
tors. eta vs tors. theta energy: -73.603
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: 60
Temperature: 1.100000
Total energy: -843.157958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.157958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.157958 (E_RNA)
where:
Base-Base interactions energy: -586.949
where: short stacking energy: -250.831
Base-Backbone interact. energy: 0.620
local terms energy: -256.829252
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -45.134
flat angles C4'-P-C4' energy: -60.270
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -77.543
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: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -758.573489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.573489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.573489 (E_RNA)
where:
Base-Base interactions energy: -522.794
where: short stacking energy: -230.104
Base-Backbone interact. energy: -0.493
local terms energy: -235.286886
where:
bonds (distance) C4'-P energy: -41.787
bonds (distance) P-C4' energy: -43.868
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -63.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -716.351902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.351902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.351902 (E_RNA)
where:
Base-Base interactions energy: -481.749
where: short stacking energy: -195.343
Base-Backbone interact. energy: 0.291
local terms energy: -234.893994
where:
bonds (distance) C4'-P energy: -42.748
bonds (distance) P-C4' energy: -52.711
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -53.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -640.997288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.997288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.997288 (E_RNA)
where:
Base-Base interactions energy: -427.861
where: short stacking energy: -184.499
Base-Backbone interact. energy: -0.437
local terms energy: -212.699546
where:
bonds (distance) C4'-P energy: -43.091
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -52.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -551.089144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.089144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.089144 (E_RNA)
where:
Base-Base interactions energy: -373.838
where: short stacking energy: -155.880
Base-Backbone interact. energy: -0.592
local terms energy: -176.658904
where:
bonds (distance) C4'-P energy: -43.201
bonds (distance) P-C4' energy: -39.332
flat angles C4'-P-C4' energy: -45.420
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -28.424
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: 60
Temperature: 1.350000
Total energy: -227.065704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.065704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.065704 (E_RNA)
where:
Base-Base interactions energy: -83.247
where: short stacking energy: -76.883
Base-Backbone interact. energy: 1.270
local terms energy: -145.088619
where:
bonds (distance) C4'-P energy: -39.036
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -969.276588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.276588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.276588 (E_RNA)
where:
Base-Base interactions energy: -673.158
where: short stacking energy: -267.016
Base-Backbone interact. energy: -1.514
local terms energy: -294.603945
where:
bonds (distance) C4'-P energy: -56.536
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -40.801
tors. eta vs tors. theta energy: -84.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -954.322507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.322507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.322507 (E_RNA)
where:
Base-Base interactions energy: -669.572
where: short stacking energy: -278.393
Base-Backbone interact. energy: -0.222
local terms energy: -284.528337
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -42.485
tors. eta vs tors. theta energy: -74.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -925.968266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.968266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.968266 (E_RNA)
where:
Base-Base interactions energy: -630.965
where: short stacking energy: -272.704
Base-Backbone interact. energy: -1.850
local terms energy: -293.152706
where:
bonds (distance) C4'-P energy: -53.281
bonds (distance) P-C4' energy: -58.538
flat angles C4'-P-C4' energy: -56.991
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: -85.887
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: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -858.640949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.640949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.640949 (E_RNA)
where:
Base-Base interactions energy: -582.251
where: short stacking energy: -245.329
Base-Backbone interact. energy: -0.957
local terms energy: -275.433281
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -59.780
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -73.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -833.336682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.336682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.336682 (E_RNA)
where:
Base-Base interactions energy: -559.379
where: short stacking energy: -253.732
Base-Backbone interact. energy: -0.183
local terms energy: -273.774498
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -58.506
flat angles P-C4'-P energy: -46.127
tors. eta vs tors. theta energy: -74.850
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: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -769.500512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.500512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.500512 (E_RNA)
where:
Base-Base interactions energy: -531.733
where: short stacking energy: -206.984
Base-Backbone interact. energy: -0.274
local terms energy: -237.494146
where:
bonds (distance) C4'-P energy: -46.569
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -46.445
flat angles P-C4'-P energy: -41.668
tors. eta vs tors. theta energy: -57.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -744.299775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.299775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.299775 (E_RNA)
where:
Base-Base interactions energy: -513.358
where: short stacking energy: -222.993
Base-Backbone interact. energy: -0.257
local terms energy: -230.684858
where:
bonds (distance) C4'-P energy: -44.129
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -54.278
flat angles P-C4'-P energy: -31.977
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: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -676.182309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.182309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.182309 (E_RNA)
where:
Base-Base interactions energy: -459.661
where: short stacking energy: -190.635
Base-Backbone interact. energy: -1.327
local terms energy: -215.194557
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -42.511
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -54.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -521.503747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.503747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.503747 (E_RNA)
where:
Base-Base interactions energy: -339.639
where: short stacking energy: -142.546
Base-Backbone interact. energy: 2.619
local terms energy: -184.483734
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -50.301
flat angles C4'-P-C4' energy: -42.086
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -244.844127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.844127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.844127 (E_RNA)
where:
Base-Base interactions energy: -96.761
where: short stacking energy: -69.130
Base-Backbone interact. energy: 0.069
local terms energy: -148.151724
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -45.534
flat angles C4'-P-C4' energy: -49.230
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: 4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -965.028313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.028313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.028313 (E_RNA)
where:
Base-Base interactions energy: -665.110
where: short stacking energy: -280.191
Base-Backbone interact. energy: -1.532
local terms energy: -298.385963
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -61.786
flat angles C4'-P-C4' energy: -64.634
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -82.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -967.965238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.965238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.965238 (E_RNA)
where:
Base-Base interactions energy: -671.436
where: short stacking energy: -283.491
Base-Backbone interact. energy: -1.355
local terms energy: -295.174430
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -55.229
flat angles C4'-P-C4' energy: -62.335
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -87.480
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: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -885.285140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.285140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.285140 (E_RNA)
where:
Base-Base interactions energy: -611.876
where: short stacking energy: -246.796
Base-Backbone interact. energy: -1.663
local terms energy: -271.745738
where:
bonds (distance) C4'-P energy: -53.695
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -51.478
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -75.550
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -912.122917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.122917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.122917 (E_RNA)
where:
Base-Base interactions energy: -635.193
where: short stacking energy: -277.568
Base-Backbone interact. energy: -0.392
local terms energy: -276.537777
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -59.114
flat angles P-C4'-P energy: -37.835
tors. eta vs tors. theta energy: -92.491
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: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -838.563384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.563384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.563384 (E_RNA)
where:
Base-Base interactions energy: -571.668
where: short stacking energy: -244.254
Base-Backbone interact. energy: -0.469
local terms energy: -266.425870
where:
bonds (distance) C4'-P energy: -51.358
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -60.253
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -73.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -764.130840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.130840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.130840 (E_RNA)
where:
Base-Base interactions energy: -527.998
where: short stacking energy: -221.224
Base-Backbone interact. energy: -1.025
local terms energy: -235.107532
where:
bonds (distance) C4'-P energy: -40.617
bonds (distance) P-C4' energy: -49.048
flat angles C4'-P-C4' energy: -48.439
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -67.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -672.476683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.476683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.476683 (E_RNA)
where:
Base-Base interactions energy: -475.285
where: short stacking energy: -178.220
Base-Backbone interact. energy: -1.517
local terms energy: -195.674407
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -44.777
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -45.007
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: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -644.561551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.561551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.561551 (E_RNA)
where:
Base-Base interactions energy: -435.049
where: short stacking energy: -176.758
Base-Backbone interact. energy: 3.574
local terms energy: -213.087099
where:
bonds (distance) C4'-P energy: -43.143
bonds (distance) P-C4' energy: -53.450
flat angles C4'-P-C4' energy: -36.202
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -520.955878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.955878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.955878 (E_RNA)
where:
Base-Base interactions energy: -312.486
where: short stacking energy: -151.350
Base-Backbone interact. energy: -0.299
local terms energy: -208.171307
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -32.293
tors. eta vs tors. theta energy: -41.533
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: 62
Temperature: 1.350000
Total energy: -244.867730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.867730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.867730 (E_RNA)
where:
Base-Base interactions energy: -101.602
where: short stacking energy: -62.454
Base-Backbone interact. energy: 0.922
local terms energy: -144.188427
where:
bonds (distance) C4'-P energy: -34.901
bonds (distance) P-C4' energy: -45.474
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -0.593
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: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -958.277995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.277995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.277995 (E_RNA)
where:
Base-Base interactions energy: -658.798
where: short stacking energy: -291.737
Base-Backbone interact. energy: -0.546
local terms energy: -298.934574
where:
bonds (distance) C4'-P energy: -57.694
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -61.659
flat angles P-C4'-P energy: -41.835
tors. eta vs tors. theta energy: -85.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -940.778809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.778809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.778809 (E_RNA)
where:
Base-Base interactions energy: -635.857
where: short stacking energy: -263.096
Base-Backbone interact. energy: -0.944
local terms energy: -303.977301
where:
bonds (distance) C4'-P energy: -55.170
bonds (distance) P-C4' energy: -62.715
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -85.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -899.970665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.970665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.970665 (E_RNA)
where:
Base-Base interactions energy: -622.127
where: short stacking energy: -262.674
Base-Backbone interact. energy: -0.212
local terms energy: -277.631621
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -47.938
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -78.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -889.206679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.206679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.206679 (E_RNA)
where:
Base-Base interactions energy: -609.499
where: short stacking energy: -257.661
Base-Backbone interact. energy: -1.542
local terms energy: -278.166361
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -47.483
tors. eta vs tors. theta energy: -79.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -829.222782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.222782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.222782 (E_RNA)
where:
Base-Base interactions energy: -591.550
where: short stacking energy: -248.930
Base-Backbone interact. energy: -0.520
local terms energy: -237.152577
where:
bonds (distance) C4'-P energy: -44.519
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -51.321
flat angles P-C4'-P energy: -31.106
tors. eta vs tors. theta energy: -70.036
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: 63
Temperature: 1.150000
Total energy: -741.862174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.862174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.862174 (E_RNA)
where:
Base-Base interactions energy: -506.713
where: short stacking energy: -216.801
Base-Backbone interact. energy: -0.568
local terms energy: -234.581952
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -55.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -752.490993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.490993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.490993 (E_RNA)
where:
Base-Base interactions energy: -508.041
where: short stacking energy: -201.661
Base-Backbone interact. energy: -1.602
local terms energy: -242.847405
where:
bonds (distance) C4'-P energy: -45.714
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -53.434
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -56.797
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: 63
Temperature: 1.250000
Total energy: -638.221600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.221600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.221600 (E_RNA)
where:
Base-Base interactions energy: -417.336
where: short stacking energy: -169.061
Base-Backbone interact. energy: -0.496
local terms energy: -220.389730
where:
bonds (distance) C4'-P energy: -52.537
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -54.055
flat angles P-C4'-P energy: -38.607
tors. eta vs tors. theta energy: -43.996
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: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -530.588902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.588902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.588902 (E_RNA)
where:
Base-Base interactions energy: -319.861
where: short stacking energy: -142.299
Base-Backbone interact. energy: 0.457
local terms energy: -211.184980
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -54.106
flat angles C4'-P-C4' energy: -50.253
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -237.671842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.671842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.671842 (E_RNA)
where:
Base-Base interactions energy: -107.834
where: short stacking energy: -100.665
Base-Backbone interact. energy: 0.533
local terms energy: -130.371191
where:
bonds (distance) C4'-P energy: -42.779
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -948.844193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.844193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.844193 (E_RNA)
where:
Base-Base interactions energy: -652.766
where: short stacking energy: -278.820
Base-Backbone interact. energy: -1.068
local terms energy: -295.010903
where:
bonds (distance) C4'-P energy: -48.788
bonds (distance) P-C4' energy: -55.856
flat angles C4'-P-C4' energy: -63.316
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -87.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -936.501044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.501044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.501044 (E_RNA)
where:
Base-Base interactions energy: -645.101
where: short stacking energy: -272.632
Base-Backbone interact. energy: -0.709
local terms energy: -290.690949
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -62.665
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -87.741
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: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -909.322736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.322736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.322736 (E_RNA)
where:
Base-Base interactions energy: -616.436
where: short stacking energy: -265.583
Base-Backbone interact. energy: 0.550
local terms energy: -293.437455
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -61.939
flat angles P-C4'-P energy: -42.474
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: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -885.774080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.774080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.774080 (E_RNA)
where:
Base-Base interactions energy: -612.957
where: short stacking energy: -252.739
Base-Backbone interact. energy: -1.733
local terms energy: -271.084327
where:
bonds (distance) C4'-P energy: -53.303
bonds (distance) P-C4' energy: -46.729
flat angles C4'-P-C4' energy: -52.877
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -81.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -810.690363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.690363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.690363 (E_RNA)
where:
Base-Base interactions energy: -551.675
where: short stacking energy: -225.271
Base-Backbone interact. energy: -1.173
local terms energy: -257.842455
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -46.560
flat angles C4'-P-C4' energy: -54.038
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: -64.534
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: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -769.427724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.427724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.427724 (E_RNA)
where:
Base-Base interactions energy: -524.430
where: short stacking energy: -236.470
Base-Backbone interact. energy: 0.873
local terms energy: -245.869837
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -48.717
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -64.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -753.254848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.254848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.254848 (E_RNA)
where:
Base-Base interactions energy: -513.364
where: short stacking energy: -212.765
Base-Backbone interact. energy: -0.171
local terms energy: -239.719419
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -50.429
flat angles C4'-P-C4' energy: -48.484
flat angles P-C4'-P energy: -28.031
tors. eta vs tors. theta energy: -66.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -642.228424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.228424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.228424 (E_RNA)
where:
Base-Base interactions energy: -420.173
where: short stacking energy: -183.696
Base-Backbone interact. energy: -0.932
local terms energy: -221.122838
where:
bonds (distance) C4'-P energy: -40.967
bonds (distance) P-C4' energy: -43.656
flat angles C4'-P-C4' energy: -51.674
flat angles P-C4'-P energy: -40.367
tors. eta vs tors. theta energy: -44.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -523.102676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.102676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.102676 (E_RNA)
where:
Base-Base interactions energy: -323.306
where: short stacking energy: -149.162
Base-Backbone interact. energy: -0.703
local terms energy: -199.093406
where:
bonds (distance) C4'-P energy: -40.477
bonds (distance) P-C4' energy: -46.443
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -248.941623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.941623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.941623 (E_RNA)
where:
Base-Base interactions energy: -118.113
where: short stacking energy: -83.990
Base-Backbone interact. energy: 3.503
local terms energy: -134.332259
where:
bonds (distance) C4'-P energy: -44.412
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -43.949
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: 6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -954.616115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.616115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.616115 (E_RNA)
where:
Base-Base interactions energy: -650.857
where: short stacking energy: -274.947
Base-Backbone interact. energy: -2.106
local terms energy: -301.652776
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -88.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -929.921136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.921136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.921136 (E_RNA)
where:
Base-Base interactions energy: -655.370
where: short stacking energy: -275.820
Base-Backbone interact. energy: -1.546
local terms energy: -273.004446
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -87.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -881.225192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.225192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.225192 (E_RNA)
where:
Base-Base interactions energy: -623.782
where: short stacking energy: -256.121
Base-Backbone interact. energy: 1.833
local terms energy: -259.276570
where:
bonds (distance) C4'-P energy: -57.908
bonds (distance) P-C4' energy: -41.155
flat angles C4'-P-C4' energy: -51.916
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: -72.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -879.114549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.114549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.114549 (E_RNA)
where:
Base-Base interactions energy: -615.823
where: short stacking energy: -266.143
Base-Backbone interact. energy: -0.395
local terms energy: -262.896215
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -55.318
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -79.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -798.206653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.206653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.206653 (E_RNA)
where:
Base-Base interactions energy: -542.759
where: short stacking energy: -237.427
Base-Backbone interact. energy: -0.610
local terms energy: -254.837404
where:
bonds (distance) C4'-P energy: -45.437
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -53.120
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -68.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -780.323812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.323812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.323812 (E_RNA)
where:
Base-Base interactions energy: -537.760
where: short stacking energy: -233.440
Base-Backbone interact. energy: -0.817
local terms energy: -241.746520
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -47.814
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -29.632
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: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -777.918818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.918818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.918818 (E_RNA)
where:
Base-Base interactions energy: -514.222
where: short stacking energy: -232.939
Base-Backbone interact. energy: 0.033
local terms energy: -263.729694
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -51.370
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -69.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -629.383748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.383748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.383748 (E_RNA)
where:
Base-Base interactions energy: -415.758
where: short stacking energy: -185.124
Base-Backbone interact. energy: -0.582
local terms energy: -213.043899
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -42.559
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -32.884
tors. eta vs tors. theta energy: -43.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -530.789272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.789272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.789272 (E_RNA)
where:
Base-Base interactions energy: -339.483
where: short stacking energy: -142.763
Base-Backbone interact. energy: -0.882
local terms energy: -190.424319
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -45.731
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -29.077
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: 65
Temperature: 1.350000
Total energy: -251.349019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.349019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.349019 (E_RNA)
where:
Base-Base interactions energy: -110.810
where: short stacking energy: -85.070
Base-Backbone interact. energy: 1.275
local terms energy: -141.814198
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: 4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -969.356587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.356587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.356587 (E_RNA)
where:
Base-Base interactions energy: -675.970
where: short stacking energy: -292.742
Base-Backbone interact. energy: -1.309
local terms energy: -292.078040
where:
bonds (distance) C4'-P energy: -58.653
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -80.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -948.133093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.133093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.133093 (E_RNA)
where:
Base-Base interactions energy: -644.290
where: short stacking energy: -272.659
Base-Backbone interact. energy: 0.507
local terms energy: -304.350161
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -63.174
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: -91.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -893.536379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.536379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.536379 (E_RNA)
where:
Base-Base interactions energy: -643.978
where: short stacking energy: -276.822
Base-Backbone interact. energy: -2.042
local terms energy: -247.516316
where:
bonds (distance) C4'-P energy: -48.979
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -53.390
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -78.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -866.163570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.163570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.163570 (E_RNA)
where:
Base-Base interactions energy: -605.372
where: short stacking energy: -256.474
Base-Backbone interact. energy: -0.964
local terms energy: -259.827800
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -50.071
flat angles C4'-P-C4' energy: -63.227
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: -72.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -786.688602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.688602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.688602 (E_RNA)
where:
Base-Base interactions energy: -534.552
where: short stacking energy: -236.147
Base-Backbone interact. energy: 1.374
local terms energy: -253.510324
where:
bonds (distance) C4'-P energy: -51.330
bonds (distance) P-C4' energy: -49.280
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -36.686
tors. eta vs tors. theta energy: -67.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -775.420237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.420237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.420237 (E_RNA)
where:
Base-Base interactions energy: -532.611
where: short stacking energy: -237.642
Base-Backbone interact. energy: 1.738
local terms energy: -244.547277
where:
bonds (distance) C4'-P energy: -44.871
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -69.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -763.619331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.619331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.619331 (E_RNA)
where:
Base-Base interactions energy: -517.817
where: short stacking energy: -229.144
Base-Backbone interact. energy: 1.600
local terms energy: -247.402296
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -43.750
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -32.705
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: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -664.883191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.883191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.883191 (E_RNA)
where:
Base-Base interactions energy: -440.147
where: short stacking energy: -182.431
Base-Backbone interact. energy: -0.887
local terms energy: -223.849753
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -44.925
flat angles P-C4'-P energy: -37.991
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -560.874875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.874875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.874875 (E_RNA)
where:
Base-Base interactions energy: -353.285
where: short stacking energy: -169.818
Base-Backbone interact. energy: -1.997
local terms energy: -205.592508
where:
bonds (distance) C4'-P energy: -43.226
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -45.677
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -37.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -228.871410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871410 (E_RNA)
where:
Base-Base interactions energy: -73.247
where: short stacking energy: -72.826
Base-Backbone interact. energy: -1.202
local terms energy: -154.422023
where:
bonds (distance) C4'-P energy: -56.248
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -7.867
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: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -962.472708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.472708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.472708 (E_RNA)
where:
Base-Base interactions energy: -669.946
where: short stacking energy: -274.527
Base-Backbone interact. energy: -1.560
local terms energy: -290.966308
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -53.429
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -41.431
tors. eta vs tors. theta energy: -82.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -971.774790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.774790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.774790 (E_RNA)
where:
Base-Base interactions energy: -676.309
where: short stacking energy: -290.731
Base-Backbone interact. energy: -0.703
local terms energy: -294.762783
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -92.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -904.037250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.037250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.037250 (E_RNA)
where:
Base-Base interactions energy: -609.081
where: short stacking energy: -259.745
Base-Backbone interact. energy: 1.354
local terms energy: -296.309561
where:
bonds (distance) C4'-P energy: -58.169
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -60.434
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -79.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -879.736480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.736480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.736480 (E_RNA)
where:
Base-Base interactions energy: -602.107
where: short stacking energy: -259.756
Base-Backbone interact. energy: -0.000
local terms energy: -277.628979
where:
bonds (distance) C4'-P energy: -50.098
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -49.778
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -80.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -774.565188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.565188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.565188 (E_RNA)
where:
Base-Base interactions energy: -512.685
where: short stacking energy: -224.777
Base-Backbone interact. energy: -0.046
local terms energy: -261.833467
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -47.038
flat angles C4'-P-C4' energy: -65.172
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -64.806
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: 67
Temperature: 1.150000
Total energy: -781.257287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.257287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.257287 (E_RNA)
where:
Base-Base interactions energy: -521.186
where: short stacking energy: -226.010
Base-Backbone interact. energy: -0.627
local terms energy: -259.444374
where:
bonds (distance) C4'-P energy: -54.333
bonds (distance) P-C4' energy: -44.379
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -66.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -769.671081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.671081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.671081 (E_RNA)
where:
Base-Base interactions energy: -542.045
where: short stacking energy: -224.687
Base-Backbone interact. energy: 6.796
local terms energy: -234.422188
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -44.017
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -66.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -576.872995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.872995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.872995 (E_RNA)
where:
Base-Base interactions energy: -357.403
where: short stacking energy: -158.782
Base-Backbone interact. energy: -1.006
local terms energy: -218.464610
where:
bonds (distance) C4'-P energy: -48.545
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -27.809
tors. eta vs tors. theta energy: -38.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -635.578611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.578611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.578611 (E_RNA)
where:
Base-Base interactions energy: -421.527
where: short stacking energy: -183.231
Base-Backbone interact. energy: -0.616
local terms energy: -213.436491
where:
bonds (distance) C4'-P energy: -46.828
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -49.373
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -45.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -231.411878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.411878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.411878 (E_RNA)
where:
Base-Base interactions energy: -83.408
where: short stacking energy: -49.846
Base-Backbone interact. energy: 2.526
local terms energy: -150.529842
where:
bonds (distance) C4'-P energy: -42.812
bonds (distance) P-C4' energy: -50.596
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -29.349
tors. eta vs tors. theta energy: 11.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -969.488230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.488230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.488230 (E_RNA)
where:
Base-Base interactions energy: -669.848
where: short stacking energy: -292.371
Base-Backbone interact. energy: -0.960
local terms energy: -298.679869
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -53.038
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -45.598
tors. eta vs tors. theta energy: -89.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -942.338690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.338690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.338690 (E_RNA)
where:
Base-Base interactions energy: -645.163
where: short stacking energy: -276.016
Base-Backbone interact. energy: -0.983
local terms energy: -296.192823
where:
bonds (distance) C4'-P energy: -62.811
bonds (distance) P-C4' energy: -57.873
flat angles C4'-P-C4' energy: -58.572
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -78.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -918.101503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.101503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.101503 (E_RNA)
where:
Base-Base interactions energy: -636.246
where: short stacking energy: -272.233
Base-Backbone interact. energy: -0.757
local terms energy: -281.098543
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -45.744
flat angles C4'-P-C4' energy: -56.920
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: -85.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -860.958011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.958011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.958011 (E_RNA)
where:
Base-Base interactions energy: -595.722
where: short stacking energy: -251.779
Base-Backbone interact. energy: -0.466
local terms energy: -264.769865
where:
bonds (distance) C4'-P energy: -48.407
bonds (distance) P-C4' energy: -47.027
flat angles C4'-P-C4' energy: -55.023
flat angles P-C4'-P energy: -41.166
tors. eta vs tors. theta energy: -73.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -812.552777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.552777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.552777 (E_RNA)
where:
Base-Base interactions energy: -555.163
where: short stacking energy: -254.740
Base-Backbone interact. energy: -0.277
local terms energy: -257.113232
where:
bonds (distance) C4'-P energy: -41.480
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -82.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -746.172062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.172062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.172062 (E_RNA)
where:
Base-Base interactions energy: -516.521
where: short stacking energy: -222.400
Base-Backbone interact. energy: -1.505
local terms energy: -228.145944
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -42.731
flat angles C4'-P-C4' energy: -51.800
flat angles P-C4'-P energy: -37.008
tors. eta vs tors. theta energy: -55.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -759.592577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.592577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.592577 (E_RNA)
where:
Base-Base interactions energy: -513.745
where: short stacking energy: -221.739
Base-Backbone interact. energy: -0.546
local terms energy: -245.301058
where:
bonds (distance) C4'-P energy: -50.746
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -51.832
flat angles P-C4'-P energy: -30.964
tors. eta vs tors. theta energy: -69.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -591.286465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.286465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.286465 (E_RNA)
where:
Base-Base interactions energy: -376.052
where: short stacking energy: -170.947
Base-Backbone interact. energy: -1.227
local terms energy: -214.007829
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -50.671
flat angles P-C4'-P energy: -31.766
tors. eta vs tors. theta energy: -38.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -632.400543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.400543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.400543 (E_RNA)
where:
Base-Base interactions energy: -426.900
where: short stacking energy: -182.796
Base-Backbone interact. energy: -0.842
local terms energy: -204.658179
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -34.245
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: 68
Temperature: 1.350000
Total energy: -223.204303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.204303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.204303 (E_RNA)
where:
Base-Base interactions energy: -68.996
where: short stacking energy: -66.876
Base-Backbone interact. energy: -1.343
local terms energy: -152.865600
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -39.714
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: 0.281
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: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -968.485584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.485584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.485584 (E_RNA)
where:
Base-Base interactions energy: -674.343
where: short stacking energy: -295.639
Base-Backbone interact. energy: -0.835
local terms energy: -293.307810
where:
bonds (distance) C4'-P energy: -51.097
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -90.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -932.917281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.917281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.917281 (E_RNA)
where:
Base-Base interactions energy: -648.001
where: short stacking energy: -284.064
Base-Backbone interact. energy: -0.870
local terms energy: -284.045862
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -50.524
flat angles C4'-P-C4' energy: -58.614
flat angles P-C4'-P energy: -42.448
tors. eta vs tors. theta energy: -80.326
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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -910.661769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.661769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.661769 (E_RNA)
where:
Base-Base interactions energy: -630.687
where: short stacking energy: -262.767
Base-Backbone interact. energy: -1.346
local terms energy: -278.628649
where:
bonds (distance) C4'-P energy: -51.218
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -78.766
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: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -860.252172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.252172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.252172 (E_RNA)
where:
Base-Base interactions energy: -607.094
where: short stacking energy: -259.223
Base-Backbone interact. energy: -0.786
local terms energy: -252.371978
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -50.945
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -74.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -815.963144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.963144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.963144 (E_RNA)
where:
Base-Base interactions energy: -560.021
where: short stacking energy: -235.433
Base-Backbone interact. energy: 0.011
local terms energy: -255.952902
where:
bonds (distance) C4'-P energy: -48.794
bonds (distance) P-C4' energy: -42.762
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -39.213
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: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -776.415225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.415225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.415225 (E_RNA)
where:
Base-Base interactions energy: -530.297
where: short stacking energy: -222.986
Base-Backbone interact. energy: -0.854
local terms energy: -245.264272
where:
bonds (distance) C4'-P energy: -44.726
bonds (distance) P-C4' energy: -52.803
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -62.932
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: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -767.710685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.710685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.710685 (E_RNA)
where:
Base-Base interactions energy: -532.310
where: short stacking energy: -219.085
Base-Backbone interact. energy: -0.782
local terms energy: -234.618944
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -51.302
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -54.681
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: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -642.996841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.996841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.996841 (E_RNA)
where:
Base-Base interactions energy: -426.670
where: short stacking energy: -184.465
Base-Backbone interact. energy: -0.303
local terms energy: -216.023777
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -51.765
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -39.320
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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -567.008476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.008476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.008476 (E_RNA)
where:
Base-Base interactions energy: -375.325
where: short stacking energy: -173.728
Base-Backbone interact. energy: -1.574
local terms energy: -190.109420
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -39.631
flat angles C4'-P-C4' energy: -47.313
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -33.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -222.336650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.336650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.336650 (E_RNA)
where:
Base-Base interactions energy: -76.341
where: short stacking energy: -53.805
Base-Backbone interact. energy: 0.731
local terms energy: -146.726870
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: 17.285
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -970.960706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.960706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.960706 (E_RNA)
where:
Base-Base interactions energy: -677.608
where: short stacking energy: -287.114
Base-Backbone interact. energy: -0.597
local terms energy: -292.755900
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -60.825
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -87.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -941.016026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.016026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.016026 (E_RNA)
where:
Base-Base interactions energy: -642.319
where: short stacking energy: -291.981
Base-Backbone interact. energy: 2.002
local terms energy: -300.699219
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -58.119
flat angles C4'-P-C4' energy: -54.974
flat angles P-C4'-P energy: -47.777
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -920.334469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.334469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.334469 (E_RNA)
where:
Base-Base interactions energy: -641.662
where: short stacking energy: -281.612
Base-Backbone interact. energy: -0.648
local terms energy: -278.025126
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -51.745
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -83.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -883.379308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.379308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.379308 (E_RNA)
where:
Base-Base interactions energy: -604.493
where: short stacking energy: -262.060
Base-Backbone interact. energy: -0.655
local terms energy: -278.231501
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -54.938
flat angles C4'-P-C4' energy: -58.029
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -80.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -837.638650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.638650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.638650 (E_RNA)
where:
Base-Base interactions energy: -561.900
where: short stacking energy: -248.147
Base-Backbone interact. energy: -0.729
local terms energy: -275.010012
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -33.591
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: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -769.034374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.034374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.034374 (E_RNA)
where:
Base-Base interactions energy: -531.668
where: short stacking energy: -212.061
Base-Backbone interact. energy: 0.112
local terms energy: -237.478257
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -59.991
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: -62.491
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -756.383478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.383478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.383478 (E_RNA)
where:
Base-Base interactions energy: -512.505
where: short stacking energy: -193.214
Base-Backbone interact. energy: 0.415
local terms energy: -244.293460
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -59.954
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -49.813
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -668.786093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.786093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.786093 (E_RNA)
where:
Base-Base interactions energy: -438.368
where: short stacking energy: -180.613
Base-Backbone interact. energy: -3.206
local terms energy: -227.211534
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -55.165
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -49.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -577.464221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.464221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.464221 (E_RNA)
where:
Base-Base interactions energy: -357.811
where: short stacking energy: -162.248
Base-Backbone interact. energy: 1.301
local terms energy: -220.954200
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -51.467
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -46.677
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: 70
Temperature: 1.350000
Total energy: -209.080981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.080981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080981 (E_RNA)
where:
Base-Base interactions energy: -61.345
where: short stacking energy: -52.241
Base-Backbone interact. energy: -3.024
local terms energy: -144.712009
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -42.077
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: 7.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -967.214887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.214887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.214887 (E_RNA)
where:
Base-Base interactions energy: -661.969
where: short stacking energy: -279.008
Base-Backbone interact. energy: -1.328
local terms energy: -303.917528
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -58.080
flat angles C4'-P-C4' energy: -64.109
flat angles P-C4'-P energy: -44.269
tors. eta vs tors. theta energy: -91.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -929.569273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.569273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.569273 (E_RNA)
where:
Base-Base interactions energy: -636.134
where: short stacking energy: -260.589
Base-Backbone interact. energy: -2.142
local terms energy: -291.293434
where:
bonds (distance) C4'-P energy: -48.844
bonds (distance) P-C4' energy: -53.740
flat angles C4'-P-C4' energy: -62.835
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -81.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -925.381108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.381108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.381108 (E_RNA)
where:
Base-Base interactions energy: -631.600
where: short stacking energy: -284.086
Base-Backbone interact. energy: 0.385
local terms energy: -294.165809
where:
bonds (distance) C4'-P energy: -51.038
bonds (distance) P-C4' energy: -54.326
flat angles C4'-P-C4' energy: -65.525
flat angles P-C4'-P energy: -34.245
tors. eta vs tors. theta energy: -89.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -884.098879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.098879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.098879 (E_RNA)
where:
Base-Base interactions energy: -606.629
where: short stacking energy: -251.846
Base-Backbone interact. energy: -1.200
local terms energy: -276.269574
where:
bonds (distance) C4'-P energy: -58.316
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -61.737
flat angles P-C4'-P energy: -41.915
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: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -810.063360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.063360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.063360 (E_RNA)
where:
Base-Base interactions energy: -553.695
where: short stacking energy: -239.913
Base-Backbone interact. energy: -0.855
local terms energy: -255.513145
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -67.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -770.210254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.210254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.210254 (E_RNA)
where:
Base-Base interactions energy: -524.304
where: short stacking energy: -217.439
Base-Backbone interact. energy: -1.061
local terms energy: -244.844840
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -33.233
tors. eta vs tors. theta energy: -63.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -795.278441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.278441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.278441 (E_RNA)
where:
Base-Base interactions energy: -558.534
where: short stacking energy: -231.306
Base-Backbone interact. energy: -0.584
local terms energy: -236.161012
where:
bonds (distance) C4'-P energy: -45.573
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -64.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -713.042713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.042713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.042713 (E_RNA)
where:
Base-Base interactions energy: -508.026
where: short stacking energy: -204.116
Base-Backbone interact. energy: -1.146
local terms energy: -203.870718
where:
bonds (distance) C4'-P energy: -40.180
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -544.751637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.751637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.751637 (E_RNA)
where:
Base-Base interactions energy: -359.141
where: short stacking energy: -158.596
Base-Backbone interact. energy: -0.522
local terms energy: -185.088778
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -48.216
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -228.486401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.486401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.486401 (E_RNA)
where:
Base-Base interactions energy: -73.643
where: short stacking energy: -70.294
Base-Backbone interact. energy: -0.706
local terms energy: -154.137011
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: 9.595
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: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -968.333152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.333152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.333152 (E_RNA)
where:
Base-Base interactions energy: -672.474
where: short stacking energy: -294.309
Base-Backbone interact. energy: -0.265
local terms energy: -295.594160
where:
bonds (distance) C4'-P energy: -53.199
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -60.756
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -91.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -938.539902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.539902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.539902 (E_RNA)
where:
Base-Base interactions energy: -654.493
where: short stacking energy: -280.235
Base-Backbone interact. energy: -0.787
local terms energy: -283.259288
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -84.281
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: 72
Temperature: 1.000000
Total energy: -897.647634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.647634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.647634 (E_RNA)
where:
Base-Base interactions energy: -620.433
where: short stacking energy: -256.084
Base-Backbone interact. energy: -0.420
local terms energy: -276.794319
where:
bonds (distance) C4'-P energy: -52.323
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -56.221
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -75.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -921.149947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.149947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.149947 (E_RNA)
where:
Base-Base interactions energy: -650.587
where: short stacking energy: -275.389
Base-Backbone interact. energy: -0.509
local terms energy: -270.053819
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -50.623
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: -90.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -821.061316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.061316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.061316 (E_RNA)
where:
Base-Base interactions energy: -557.210
where: short stacking energy: -245.736
Base-Backbone interact. energy: -0.699
local terms energy: -263.152537
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -38.998
flat angles C4'-P-C4' energy: -61.457
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -73.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -760.219800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.219800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.219800 (E_RNA)
where:
Base-Base interactions energy: -518.293
where: short stacking energy: -206.089
Base-Backbone interact. energy: -0.577
local terms energy: -241.349781
where:
bonds (distance) C4'-P energy: -51.653
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -51.632
flat angles P-C4'-P energy: -35.876
tors. eta vs tors. theta energy: -58.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -737.426835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.426835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.426835 (E_RNA)
where:
Base-Base interactions energy: -519.082
where: short stacking energy: -206.018
Base-Backbone interact. energy: -1.469
local terms energy: -216.875947
where:
bonds (distance) C4'-P energy: -43.346
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -47.520
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: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -699.623966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.623966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.623966 (E_RNA)
where:
Base-Base interactions energy: -486.242
where: short stacking energy: -194.746
Base-Backbone interact. energy: 0.897
local terms energy: -214.278591
where:
bonds (distance) C4'-P energy: -51.513
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -40.565
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -44.099
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: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -571.437610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.437610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.437610 (E_RNA)
where:
Base-Base interactions energy: -365.073
where: short stacking energy: -155.670
Base-Backbone interact. energy: -0.694
local terms energy: -205.670679
where:
bonds (distance) C4'-P energy: -43.260
bonds (distance) P-C4' energy: -39.475
flat angles C4'-P-C4' energy: -48.460
flat angles P-C4'-P energy: -29.656
tors. eta vs tors. theta energy: -44.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -253.520391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.520391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.520391 (E_RNA)
where:
Base-Base interactions energy: -86.106
where: short stacking energy: -83.650
Base-Backbone interact. energy: 0.923
local terms energy: -168.336933
where:
bonds (distance) C4'-P energy: -42.617
bonds (distance) P-C4' energy: -48.037
flat angles C4'-P-C4' energy: -41.375
flat angles P-C4'-P energy: -32.626
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: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -975.840341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.840341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.840341 (E_RNA)
where:
Base-Base interactions energy: -680.682
where: short stacking energy: -300.965
Base-Backbone interact. energy: -0.288
local terms energy: -294.870691
where:
bonds (distance) C4'-P energy: -50.135
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -60.635
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -94.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -953.121765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.121765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.121765 (E_RNA)
where:
Base-Base interactions energy: -656.113
where: short stacking energy: -296.454
Base-Backbone interact. energy: -0.931
local terms energy: -296.078195
where:
bonds (distance) C4'-P energy: -55.951
bonds (distance) P-C4' energy: -47.572
flat angles C4'-P-C4' energy: -64.405
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -88.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -919.544069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.544069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.544069 (E_RNA)
where:
Base-Base interactions energy: -636.190
where: short stacking energy: -261.856
Base-Backbone interact. energy: -0.687
local terms energy: -282.667052
where:
bonds (distance) C4'-P energy: -55.420
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -80.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -888.587860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.587860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.587860 (E_RNA)
where:
Base-Base interactions energy: -611.139
where: short stacking energy: -257.067
Base-Backbone interact. energy: -0.482
local terms energy: -276.967480
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -48.050
flat angles C4'-P-C4' energy: -62.269
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: -79.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -822.461126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.461126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.461126 (E_RNA)
where:
Base-Base interactions energy: -563.233
where: short stacking energy: -244.077
Base-Backbone interact. energy: -1.449
local terms energy: -257.778727
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -31.497
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: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -745.744204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.744204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.744204 (E_RNA)
where:
Base-Base interactions energy: -508.899
where: short stacking energy: -211.759
Base-Backbone interact. energy: 1.713
local terms energy: -238.557735
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -48.950
flat angles C4'-P-C4' energy: -48.914
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -58.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -775.705644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.705644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.705644 (E_RNA)
where:
Base-Base interactions energy: -542.276
where: short stacking energy: -222.729
Base-Backbone interact. energy: 0.221
local terms energy: -233.650732
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -49.487
flat angles C4'-P-C4' energy: -45.543
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -61.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -701.077499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.077499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.077499 (E_RNA)
where:
Base-Base interactions energy: -469.226
where: short stacking energy: -177.554
Base-Backbone interact. energy: 0.952
local terms energy: -232.803227
where:
bonds (distance) C4'-P energy: -39.569
bonds (distance) P-C4' energy: -53.987
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -45.379
tors. eta vs tors. theta energy: -47.647
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: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -511.198129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.198129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.198129 (E_RNA)
where:
Base-Base interactions energy: -319.848
where: short stacking energy: -144.161
Base-Backbone interact. energy: -0.781
local terms energy: -190.568614
where:
bonds (distance) C4'-P energy: -46.146
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -46.982
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -26.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -239.589554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.589554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.589554 (E_RNA)
where:
Base-Base interactions energy: -88.381
where: short stacking energy: -81.148
Base-Backbone interact. energy: 4.302
local terms energy: -155.509843
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -40.073
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: 2.665
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: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -968.775916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.775916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.775916 (E_RNA)
where:
Base-Base interactions energy: -658.694
where: short stacking energy: -284.497
Base-Backbone interact. energy: 0.484
local terms energy: -310.565701
where:
bonds (distance) C4'-P energy: -58.758
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -62.634
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: -91.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -938.960783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.960783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.960783 (E_RNA)
where:
Base-Base interactions energy: -660.121
where: short stacking energy: -278.781
Base-Backbone interact. energy: 1.633
local terms energy: -280.472297
where:
bonds (distance) C4'-P energy: -51.861
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -85.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -910.681861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.681861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.681861 (E_RNA)
where:
Base-Base interactions energy: -633.841
where: short stacking energy: -274.273
Base-Backbone interact. energy: -2.905
local terms energy: -273.936188
where:
bonds (distance) C4'-P energy: -40.118
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -62.202
flat angles P-C4'-P energy: -39.600
tors. eta vs tors. theta energy: -82.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -921.998180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.998180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.998180 (E_RNA)
where:
Base-Base interactions energy: -637.309
where: short stacking energy: -275.554
Base-Backbone interact. energy: -1.066
local terms energy: -283.622621
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -48.772
flat angles C4'-P-C4' energy: -63.406
flat angles P-C4'-P energy: -38.092
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: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -803.932660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.932660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.932660 (E_RNA)
where:
Base-Base interactions energy: -550.550
where: short stacking energy: -224.135
Base-Backbone interact. energy: -0.833
local terms energy: -252.549806
where:
bonds (distance) C4'-P energy: -54.148
bonds (distance) P-C4' energy: -58.391
flat angles C4'-P-C4' energy: -51.854
flat angles P-C4'-P energy: -26.510
tors. eta vs tors. theta energy: -61.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -748.203475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.203475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.203475 (E_RNA)
where:
Base-Base interactions energy: -530.680
where: short stacking energy: -236.921
Base-Backbone interact. energy: -0.457
local terms energy: -217.066108
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -50.209
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: -58.955
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: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -725.183195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.183195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.183195 (E_RNA)
where:
Base-Base interactions energy: -509.596
where: short stacking energy: -201.500
Base-Backbone interact. energy: -0.320
local terms energy: -215.267873
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -46.597
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -55.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -709.766578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.766578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.766578 (E_RNA)
where:
Base-Base interactions energy: -477.134
where: short stacking energy: -211.328
Base-Backbone interact. energy: 2.527
local terms energy: -235.159504
where:
bonds (distance) C4'-P energy: -48.746
bonds (distance) P-C4' energy: -52.171
flat angles C4'-P-C4' energy: -43.595
flat angles P-C4'-P energy: -33.450
tors. eta vs tors. theta energy: -57.197
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: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -496.313183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.313183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.313183 (E_RNA)
where:
Base-Base interactions energy: -314.351
where: short stacking energy: -153.030
Base-Backbone interact. energy: 1.439
local terms energy: -183.400828
where:
bonds (distance) C4'-P energy: -41.063
bonds (distance) P-C4' energy: -45.384
flat angles C4'-P-C4' energy: -45.597
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -213.895473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.895473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.895473 (E_RNA)
where:
Base-Base interactions energy: -75.344
where: short stacking energy: -56.158
Base-Backbone interact. energy: 0.538
local terms energy: -139.089405
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: 2.633
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: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -962.471570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.471570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.471570 (E_RNA)
where:
Base-Base interactions energy: -663.102
where: short stacking energy: -274.304
Base-Backbone interact. energy: -0.953
local terms energy: -298.415870
where:
bonds (distance) C4'-P energy: -54.767
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -62.103
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -83.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -933.284329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.284329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.284329 (E_RNA)
where:
Base-Base interactions energy: -636.484
where: short stacking energy: -286.197
Base-Backbone interact. energy: -1.271
local terms energy: -295.529972
where:
bonds (distance) C4'-P energy: -45.509
bonds (distance) P-C4' energy: -56.137
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -42.443
tors. eta vs tors. theta energy: -85.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -924.792046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.792046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.792046 (E_RNA)
where:
Base-Base interactions energy: -641.260
where: short stacking energy: -276.231
Base-Backbone interact. energy: -0.939
local terms energy: -282.593182
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -86.553
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -924.937284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.937284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.937284 (E_RNA)
where:
Base-Base interactions energy: -646.503
where: short stacking energy: -278.327
Base-Backbone interact. energy: 0.489
local terms energy: -278.923700
where:
bonds (distance) C4'-P energy: -50.304
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -88.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -812.668139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.668139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.668139 (E_RNA)
where:
Base-Base interactions energy: -553.231
where: short stacking energy: -245.079
Base-Backbone interact. energy: -0.094
local terms energy: -259.342227
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -54.746
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -38.407
tors. eta vs tors. theta energy: -64.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -756.268082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.268082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.268082 (E_RNA)
where:
Base-Base interactions energy: -511.502
where: short stacking energy: -207.788
Base-Backbone interact. energy: -0.411
local terms energy: -244.354825
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -50.550
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -55.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -729.630097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.630097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.630097 (E_RNA)
where:
Base-Base interactions energy: -495.425
where: short stacking energy: -206.998
Base-Backbone interact. energy: -0.814
local terms energy: -233.390840
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -53.957
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -56.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -731.149002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.149002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.149002 (E_RNA)
where:
Base-Base interactions energy: -488.611
where: short stacking energy: -197.552
Base-Backbone interact. energy: -0.855
local terms energy: -241.683299
where:
bonds (distance) C4'-P energy: -53.840
bonds (distance) P-C4' energy: -42.614
flat angles C4'-P-C4' energy: -48.886
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -59.571
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: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -518.885660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.885660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.885660 (E_RNA)
where:
Base-Base interactions energy: -308.653
where: short stacking energy: -153.251
Base-Backbone interact. energy: -0.337
local terms energy: -209.895272
where:
bonds (distance) C4'-P energy: -44.093
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -41.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -222.917016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.917016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.917016 (E_RNA)
where:
Base-Base interactions energy: -83.447
where: short stacking energy: -63.278
Base-Backbone interact. energy: 2.803
local terms energy: -142.273057
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -43.941
flat angles P-C4'-P energy: -26.430
tors. eta vs tors. theta energy: 15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -960.930291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.930291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.930291 (E_RNA)
where:
Base-Base interactions energy: -660.139
where: short stacking energy: -273.510
Base-Backbone interact. energy: -0.566
local terms energy: -300.225607
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -52.613
flat angles C4'-P-C4' energy: -64.532
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -84.313
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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -931.180157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.180157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.180157 (E_RNA)
where:
Base-Base interactions energy: -651.814
where: short stacking energy: -273.348
Base-Backbone interact. energy: -1.060
local terms energy: -278.306395
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -63.777
flat angles P-C4'-P energy: -43.110
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: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -938.333092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.333092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.333092 (E_RNA)
where:
Base-Base interactions energy: -646.583
where: short stacking energy: -266.272
Base-Backbone interact. energy: -1.167
local terms energy: -290.583594
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -59.619
flat angles C4'-P-C4' energy: -59.149
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -85.882
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -911.180056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.180056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.180056 (E_RNA)
where:
Base-Base interactions energy: -627.245
where: short stacking energy: -259.462
Base-Backbone interact. energy: -1.202
local terms energy: -282.733038
where:
bonds (distance) C4'-P energy: -51.679
bonds (distance) P-C4' energy: -50.434
flat angles C4'-P-C4' energy: -54.430
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -80.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -777.340770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.340770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.340770 (E_RNA)
where:
Base-Base interactions energy: -515.189
where: short stacking energy: -214.541
Base-Backbone interact. energy: -0.602
local terms energy: -261.549694
where:
bonds (distance) C4'-P energy: -51.609
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -57.913
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -57.192
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: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -780.745038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.745038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.745038 (E_RNA)
where:
Base-Base interactions energy: -547.567
where: short stacking energy: -235.162
Base-Backbone interact. energy: 1.102
local terms energy: -234.279640
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -49.790
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -68.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -735.518898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.518898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.518898 (E_RNA)
where:
Base-Base interactions energy: -493.004
where: short stacking energy: -206.809
Base-Backbone interact. energy: -1.837
local terms energy: -240.678188
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -51.300
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -36.298
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: 76
Temperature: 1.250000
Total energy: -698.171140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.171140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.171140 (E_RNA)
where:
Base-Base interactions energy: -484.919
where: short stacking energy: -188.048
Base-Backbone interact. energy: -0.455
local terms energy: -212.796926
where:
bonds (distance) C4'-P energy: -47.471
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -50.619
flat angles P-C4'-P energy: -32.891
tors. eta vs tors. theta energy: -43.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -502.109635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.109635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.109635 (E_RNA)
where:
Base-Base interactions energy: -311.399
where: short stacking energy: -148.803
Base-Backbone interact. energy: 0.309
local terms energy: -191.019545
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -28.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -216.037161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.037161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.037161 (E_RNA)
where:
Base-Base interactions energy: -77.928
where: short stacking energy: -73.740
Base-Backbone interact. energy: 2.519
local terms energy: -140.628394
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -44.709
flat angles C4'-P-C4' energy: -36.740
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: 5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -973.059984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.059984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.059984 (E_RNA)
where:
Base-Base interactions energy: -659.366
where: short stacking energy: -284.912
Base-Backbone interact. energy: -0.395
local terms energy: -313.298234
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -59.271
flat angles C4'-P-C4' energy: -62.017
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -89.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -948.697788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.697788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.697788 (E_RNA)
where:
Base-Base interactions energy: -661.956
where: short stacking energy: -279.416
Base-Backbone interact. energy: 4.596
local terms energy: -291.337477
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -60.569
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -85.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -922.300462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.300462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.300462 (E_RNA)
where:
Base-Base interactions energy: -646.323
where: short stacking energy: -278.370
Base-Backbone interact. energy: 2.050
local terms energy: -278.027956
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -46.665
flat angles C4'-P-C4' energy: -60.294
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -81.381
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: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -924.982250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.982250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.982250 (E_RNA)
where:
Base-Base interactions energy: -631.897
where: short stacking energy: -267.186
Base-Backbone interact. energy: -0.750
local terms energy: -292.335372
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -40.306
tors. eta vs tors. theta energy: -89.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -788.688085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.688085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.688085 (E_RNA)
where:
Base-Base interactions energy: -540.756
where: short stacking energy: -226.234
Base-Backbone interact. energy: -1.470
local terms energy: -246.462799
where:
bonds (distance) C4'-P energy: -51.413
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -66.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -786.387827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.387827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.387827 (E_RNA)
where:
Base-Base interactions energy: -545.302
where: short stacking energy: -235.326
Base-Backbone interact. energy: -0.340
local terms energy: -240.745472
where:
bonds (distance) C4'-P energy: -35.149
bonds (distance) P-C4' energy: -47.670
flat angles C4'-P-C4' energy: -54.680
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -64.675
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: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -723.102275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.102275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.102275 (E_RNA)
where:
Base-Base interactions energy: -500.043
where: short stacking energy: -190.992
Base-Backbone interact. energy: -0.122
local terms energy: -222.937285
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -49.861
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -48.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -684.928534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.928534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.928534 (E_RNA)
where:
Base-Base interactions energy: -467.324
where: short stacking energy: -197.892
Base-Backbone interact. energy: -0.269
local terms energy: -217.335299
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -57.105
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -48.596
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: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -505.834006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.834006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.834006 (E_RNA)
where:
Base-Base interactions energy: -320.742
where: short stacking energy: -160.866
Base-Backbone interact. energy: 3.971
local terms energy: -189.062762
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -28.177
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: 77
Temperature: 1.350000
Total energy: -215.586840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.586840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.586840 (E_RNA)
where:
Base-Base interactions energy: -68.711
where: short stacking energy: -61.835
Base-Backbone interact. energy: 0.815
local terms energy: -147.691318
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: 3.750
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: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -972.891465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.891465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.891465 (E_RNA)
where:
Base-Base interactions energy: -664.282
where: short stacking energy: -274.998
Base-Backbone interact. energy: -1.249
local terms energy: -307.359883
where:
bonds (distance) C4'-P energy: -50.691
bonds (distance) P-C4' energy: -57.863
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: -88.913
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -940.501967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.501967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.501967 (E_RNA)
where:
Base-Base interactions energy: -638.822
where: short stacking energy: -269.060
Base-Backbone interact. energy: -1.211
local terms energy: -300.468174
where:
bonds (distance) C4'-P energy: -56.274
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -63.310
flat angles P-C4'-P energy: -43.615
tors. eta vs tors. theta energy: -87.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -915.614575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.614575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.614575 (E_RNA)
where:
Base-Base interactions energy: -632.350
where: short stacking energy: -273.664
Base-Backbone interact. energy: -0.070
local terms energy: -283.194939
where:
bonds (distance) C4'-P energy: -52.624
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -61.836
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -82.042
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: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -895.711789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.711789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.711789 (E_RNA)
where:
Base-Base interactions energy: -628.132
where: short stacking energy: -271.871
Base-Backbone interact. energy: -0.710
local terms energy: -266.869458
where:
bonds (distance) C4'-P energy: -39.822
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -37.046
tors. eta vs tors. theta energy: -81.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -812.079615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.079615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.079615 (E_RNA)
where:
Base-Base interactions energy: -561.304
where: short stacking energy: -231.637
Base-Backbone interact. energy: -0.570
local terms energy: -250.205579
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -69.929
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -786.900039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.900039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.900039 (E_RNA)
where:
Base-Base interactions energy: -535.595
where: short stacking energy: -216.543
Base-Backbone interact. energy: -0.252
local terms energy: -251.052920
where:
bonds (distance) C4'-P energy: -33.523
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -60.595
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -62.835
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: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -714.615427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.615427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.615427 (E_RNA)
where:
Base-Base interactions energy: -510.495
where: short stacking energy: -214.833
Base-Backbone interact. energy: 1.637
local terms energy: -205.757535
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -59.325
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: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -699.350743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.350743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.350743 (E_RNA)
where:
Base-Base interactions energy: -468.941
where: short stacking energy: -206.763
Base-Backbone interact. energy: -0.997
local terms energy: -229.412347
where:
bonds (distance) C4'-P energy: -39.456
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -61.113
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -57.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -507.492437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.492437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.492437 (E_RNA)
where:
Base-Base interactions energy: -322.285
where: short stacking energy: -155.401
Base-Backbone interact. energy: 6.787
local terms energy: -191.994191
where:
bonds (distance) C4'-P energy: -47.020
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: -20.937
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: 78
Temperature: 1.350000
Total energy: -226.162848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.162848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.162848 (E_RNA)
where:
Base-Base interactions energy: -85.183
where: short stacking energy: -83.848
Base-Backbone interact. energy: -0.663
local terms energy: -140.316619
where:
bonds (distance) C4'-P energy: -46.990
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: 8.209
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: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -974.134744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.134744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.134744 (E_RNA)
where:
Base-Base interactions energy: -676.389
where: short stacking energy: -294.178
Base-Backbone interact. energy: -0.145
local terms energy: -297.600618
where:
bonds (distance) C4'-P energy: -55.269
bonds (distance) P-C4' energy: -51.018
flat angles C4'-P-C4' energy: -59.963
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -93.523
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: 79
Temperature: 0.950000
Total energy: -957.572628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.572628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.572628 (E_RNA)
where:
Base-Base interactions energy: -654.441
where: short stacking energy: -279.516
Base-Backbone interact. energy: 1.058
local terms energy: -304.189406
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -63.499
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -79.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -929.665819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.665819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.665819 (E_RNA)
where:
Base-Base interactions energy: -648.099
where: short stacking energy: -288.647
Base-Backbone interact. energy: -0.671
local terms energy: -280.895625
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -63.632
flat angles P-C4'-P energy: -37.030
tors. eta vs tors. theta energy: -85.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -882.160198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.160198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.160198 (E_RNA)
where:
Base-Base interactions energy: -605.918
where: short stacking energy: -259.637
Base-Backbone interact. energy: -0.759
local terms energy: -275.483819
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -80.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -800.661971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.661971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.661971 (E_RNA)
where:
Base-Base interactions energy: -555.147
where: short stacking energy: -234.977
Base-Backbone interact. energy: -0.961
local terms energy: -244.554165
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -68.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -807.730513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.730513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.730513 (E_RNA)
where:
Base-Base interactions energy: -550.663
where: short stacking energy: -234.330
Base-Backbone interact. energy: 1.858
local terms energy: -258.924714
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -59.337
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -64.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -743.116226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.116226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.116226 (E_RNA)
where:
Base-Base interactions energy: -513.084
where: short stacking energy: -216.278
Base-Backbone interact. energy: 1.596
local terms energy: -231.628818
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -44.854
flat angles C4'-P-C4' energy: -56.255
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -60.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -683.515769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.515769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.515769 (E_RNA)
where:
Base-Base interactions energy: -466.026
where: short stacking energy: -189.279
Base-Backbone interact. energy: -2.078
local terms energy: -215.411672
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -51.791
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -46.481
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: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -522.653381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.653381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.653381 (E_RNA)
where:
Base-Base interactions energy: -324.551
where: short stacking energy: -138.036
Base-Backbone interact. energy: -1.205
local terms energy: -196.896807
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -45.595
flat angles C4'-P-C4' energy: -55.514
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -24.615
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: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -262.782688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.782688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.782688 (E_RNA)
where:
Base-Base interactions energy: -127.647
where: short stacking energy: -76.383
Base-Backbone interact. energy: -1.398
local terms energy: -133.737409
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -45.724
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: 6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -966.844704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.844704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.844704 (E_RNA)
where:
Base-Base interactions energy: -661.288
where: short stacking energy: -290.704
Base-Backbone interact. energy: -0.513
local terms energy: -305.044277
where:
bonds (distance) C4'-P energy: -48.884
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -88.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -951.431309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.431309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.431309 (E_RNA)
where:
Base-Base interactions energy: -645.623
where: short stacking energy: -276.925
Base-Backbone interact. energy: -1.779
local terms energy: -304.029539
where:
bonds (distance) C4'-P energy: -60.279
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -87.716
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: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -922.868769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.868769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.868769 (E_RNA)
where:
Base-Base interactions energy: -639.955
where: short stacking energy: -275.607
Base-Backbone interact. energy: -0.886
local terms energy: -282.027842
where:
bonds (distance) C4'-P energy: -55.272
bonds (distance) P-C4' energy: -51.781
flat angles C4'-P-C4' energy: -51.161
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -87.368
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: 80
Temperature: 1.050000
Total energy: -862.625887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.625887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.625887 (E_RNA)
where:
Base-Base interactions energy: -617.266
where: short stacking energy: -243.129
Base-Backbone interact. energy: 1.246
local terms energy: -246.605905
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -49.448
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -66.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -802.810254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.810254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.810254 (E_RNA)
where:
Base-Base interactions energy: -558.923
where: short stacking energy: -225.888
Base-Backbone interact. energy: -0.225
local terms energy: -243.662222
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -65.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -796.660594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.660594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.660594 (E_RNA)
where:
Base-Base interactions energy: -513.843
where: short stacking energy: -226.084
Base-Backbone interact. energy: -0.312
local terms energy: -282.505421
where:
bonds (distance) C4'-P energy: -49.794
bonds (distance) P-C4' energy: -60.065
flat angles C4'-P-C4' energy: -55.779
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -73.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -715.784792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.784792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.784792 (E_RNA)
where:
Base-Base interactions energy: -492.661
where: short stacking energy: -204.489
Base-Backbone interact. energy: -0.289
local terms energy: -222.834618
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -53.247
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -51.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -692.246520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.246520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.246520 (E_RNA)
where:
Base-Base interactions energy: -474.613
where: short stacking energy: -192.201
Base-Backbone interact. energy: -1.070
local terms energy: -216.564215
where:
bonds (distance) C4'-P energy: -40.974
bonds (distance) P-C4' energy: -50.711
flat angles C4'-P-C4' energy: -44.623
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -46.024
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: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -471.252651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.252651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.252651 (E_RNA)
where:
Base-Base interactions energy: -290.076
where: short stacking energy: -141.031
Base-Backbone interact. energy: -0.861
local terms energy: -180.315507
where:
bonds (distance) C4'-P energy: -42.679
bonds (distance) P-C4' energy: -46.075
flat angles C4'-P-C4' energy: -44.908
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -21.791
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: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -241.354596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.354596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.354596 (E_RNA)
where:
Base-Base interactions energy: -93.554
where: short stacking energy: -79.680
Base-Backbone interact. energy: -0.775
local terms energy: -147.025685
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -47.060
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -973.403933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.403933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.403933 (E_RNA)
where:
Base-Base interactions energy: -679.735
where: short stacking energy: -287.806
Base-Backbone interact. energy: -0.754
local terms energy: -292.914767
where:
bonds (distance) C4'-P energy: -54.205
bonds (distance) P-C4' energy: -44.996
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -49.997
tors. eta vs tors. theta energy: -87.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -953.643367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.643367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.643367 (E_RNA)
where:
Base-Base interactions energy: -669.193
where: short stacking energy: -290.076
Base-Backbone interact. energy: 1.097
local terms energy: -285.547274
where:
bonds (distance) C4'-P energy: -56.457
bonds (distance) P-C4' energy: -58.131
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -91.037
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: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -926.084056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.084056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.084056 (E_RNA)
where:
Base-Base interactions energy: -650.158
where: short stacking energy: -274.297
Base-Backbone interact. energy: 0.788
local terms energy: -276.714396
where:
bonds (distance) C4'-P energy: -48.396
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -60.529
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -82.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -879.254215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.254215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.254215 (E_RNA)
where:
Base-Base interactions energy: -611.692
where: short stacking energy: -255.176
Base-Backbone interact. energy: -0.334
local terms energy: -267.228112
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -43.597
flat angles C4'-P-C4' energy: -60.479
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -74.131
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: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -827.265453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.265453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.265453 (E_RNA)
where:
Base-Base interactions energy: -573.372
where: short stacking energy: -235.071
Base-Backbone interact. energy: -0.532
local terms energy: -253.361691
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -50.287
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -67.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -792.921355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.921355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.921355 (E_RNA)
where:
Base-Base interactions energy: -540.100
where: short stacking energy: -230.539
Base-Backbone interact. energy: -0.234
local terms energy: -252.587636
where:
bonds (distance) C4'-P energy: -49.642
bonds (distance) P-C4' energy: -36.996
flat angles C4'-P-C4' energy: -56.638
flat angles P-C4'-P energy: -39.416
tors. eta vs tors. theta energy: -69.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -711.534802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.534802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.534802 (E_RNA)
where:
Base-Base interactions energy: -481.053
where: short stacking energy: -192.642
Base-Backbone interact. energy: -1.012
local terms energy: -229.469948
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -43.628
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -36.503
tors. eta vs tors. theta energy: -46.265
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: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -702.421677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.421677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.421677 (E_RNA)
where:
Base-Base interactions energy: -463.818
where: short stacking energy: -201.575
Base-Backbone interact. energy: -0.365
local terms energy: -238.238284
where:
bonds (distance) C4'-P energy: -52.601
bonds (distance) P-C4' energy: -55.882
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -43.995
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -510.697143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.697143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.697143 (E_RNA)
where:
Base-Base interactions energy: -322.834
where: short stacking energy: -141.602
Base-Backbone interact. energy: 0.010
local terms energy: -187.872791
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -44.199
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: -34.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -210.605444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.605444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.605444 (E_RNA)
where:
Base-Base interactions energy: -50.804
where: short stacking energy: -38.321
Base-Backbone interact. energy: 0.132
local terms energy: -159.933560
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -30.848
tors. eta vs tors. theta energy: 9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -960.769666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.769666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.769666 (E_RNA)
where:
Base-Base interactions energy: -653.539
where: short stacking energy: -286.452
Base-Backbone interact. energy: -0.885
local terms energy: -306.345471
where:
bonds (distance) C4'-P energy: -63.375
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -64.266
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -87.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -943.682209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.682209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.682209 (E_RNA)
where:
Base-Base interactions energy: -644.206
where: short stacking energy: -275.394
Base-Backbone interact. energy: -1.907
local terms energy: -297.569245
where:
bonds (distance) C4'-P energy: -53.686
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -66.355
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -84.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -933.826709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.826709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.826709 (E_RNA)
where:
Base-Base interactions energy: -665.316
where: short stacking energy: -293.627
Base-Backbone interact. energy: 0.014
local terms energy: -268.524818
where:
bonds (distance) C4'-P energy: -44.556
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -54.129
flat angles P-C4'-P energy: -33.157
tors. eta vs tors. theta energy: -87.810
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: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -901.392035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.392035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.392035 (E_RNA)
where:
Base-Base interactions energy: -627.662
where: short stacking energy: -257.783
Base-Backbone interact. energy: -0.181
local terms energy: -273.549337
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -79.140
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: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -832.351063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.351063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.351063 (E_RNA)
where:
Base-Base interactions energy: -580.020
where: short stacking energy: -240.824
Base-Backbone interact. energy: 3.157
local terms energy: -255.488614
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -49.853
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -65.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -783.883213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.883213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.883213 (E_RNA)
where:
Base-Base interactions energy: -536.263
where: short stacking energy: -225.185
Base-Backbone interact. energy: -0.407
local terms energy: -247.212579
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -49.611
flat angles C4'-P-C4' energy: -60.433
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -60.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -732.797285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.797285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.797285 (E_RNA)
where:
Base-Base interactions energy: -492.924
where: short stacking energy: -220.072
Base-Backbone interact. energy: -0.705
local terms energy: -239.167830
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -25.594
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: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -700.179362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.179362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.179362 (E_RNA)
where:
Base-Base interactions energy: -478.616
where: short stacking energy: -206.137
Base-Backbone interact. energy: -0.651
local terms energy: -220.912387
where:
bonds (distance) C4'-P energy: -44.675
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -48.736
flat angles P-C4'-P energy: -38.118
tors. eta vs tors. theta energy: -46.934
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: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -530.386844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.386844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.386844 (E_RNA)
where:
Base-Base interactions energy: -322.387
where: short stacking energy: -143.712
Base-Backbone interact. energy: -1.368
local terms energy: -206.632518
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -42.644
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -36.832
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: 82
Temperature: 1.350000
Total energy: -223.163540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.163540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.163540 (E_RNA)
where:
Base-Base interactions energy: -79.956
where: short stacking energy: -46.400
Base-Backbone interact. energy: -1.010
local terms energy: -142.197290
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -40.550
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: 8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -965.878160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.878160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.878160 (E_RNA)
where:
Base-Base interactions energy: -657.524
where: short stacking energy: -277.107
Base-Backbone interact. energy: 1.006
local terms energy: -309.360208
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -54.227
flat angles C4'-P-C4' energy: -63.522
flat angles P-C4'-P energy: -44.505
tors. eta vs tors. theta energy: -90.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -929.396443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.396443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.396443 (E_RNA)
where:
Base-Base interactions energy: -639.979
where: short stacking energy: -268.493
Base-Backbone interact. energy: -0.781
local terms energy: -288.636269
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -60.031
flat angles P-C4'-P energy: -43.432
tors. eta vs tors. theta energy: -82.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -943.275519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.275519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.275519 (E_RNA)
where:
Base-Base interactions energy: -648.117
where: short stacking energy: -280.551
Base-Backbone interact. energy: -0.415
local terms energy: -294.743807
where:
bonds (distance) C4'-P energy: -49.711
bonds (distance) P-C4' energy: -55.796
flat angles C4'-P-C4' energy: -65.111
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -88.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -874.888363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.888363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.888363 (E_RNA)
where:
Base-Base interactions energy: -612.661
where: short stacking energy: -252.417
Base-Backbone interact. energy: -0.605
local terms energy: -261.622140
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -45.130
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -32.177
tors. eta vs tors. theta energy: -72.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -804.025094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.025094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.025094 (E_RNA)
where:
Base-Base interactions energy: -542.700
where: short stacking energy: -234.743
Base-Backbone interact. energy: -0.481
local terms energy: -260.844605
where:
bonds (distance) C4'-P energy: -41.798
bonds (distance) P-C4' energy: -52.286
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -72.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -783.944324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.944324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.944324 (E_RNA)
where:
Base-Base interactions energy: -516.968
where: short stacking energy: -222.747
Base-Backbone interact. energy: -1.265
local terms energy: -265.711586
where:
bonds (distance) C4'-P energy: -47.093
bonds (distance) P-C4' energy: -54.841
flat angles C4'-P-C4' energy: -60.919
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -61.590
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -729.110845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.110845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.110845 (E_RNA)
where:
Base-Base interactions energy: -493.652
where: short stacking energy: -203.544
Base-Backbone interact. energy: -0.989
local terms energy: -234.470129
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -42.018
flat angles C4'-P-C4' energy: -50.103
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -56.196
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: 83
Temperature: 1.250000
Total energy: -703.002117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.002117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.002117 (E_RNA)
where:
Base-Base interactions energy: -485.134
where: short stacking energy: -191.999
Base-Backbone interact. energy: -0.991
local terms energy: -216.877257
where:
bonds (distance) C4'-P energy: -46.140
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -49.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -489.329661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.329661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.329661 (E_RNA)
where:
Base-Base interactions energy: -304.520
where: short stacking energy: -143.040
Base-Backbone interact. energy: -1.037
local terms energy: -183.773250
where:
bonds (distance) C4'-P energy: -35.190
bonds (distance) P-C4' energy: -46.960
flat angles C4'-P-C4' energy: -40.182
flat angles P-C4'-P energy: -33.293
tors. eta vs tors. theta energy: -28.147
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: 83
Temperature: 1.350000
Total energy: -219.298028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.298028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.298028 (E_RNA)
where:
Base-Base interactions energy: -85.395
where: short stacking energy: -65.552
Base-Backbone interact. energy: 0.274
local terms energy: -134.176760
where:
bonds (distance) C4'-P energy: -43.547
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: 9.048
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: 84
Temperature: 0.900000
Total energy: -960.986827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.986827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.986827 (E_RNA)
where:
Base-Base interactions energy: -673.383
where: short stacking energy: -283.228
Base-Backbone interact. energy: -0.506
local terms energy: -287.097241
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -51.591
flat angles C4'-P-C4' energy: -61.091
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -84.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -946.557284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.557284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.557284 (E_RNA)
where:
Base-Base interactions energy: -662.459
where: short stacking energy: -277.576
Base-Backbone interact. energy: -1.058
local terms energy: -283.040205
where:
bonds (distance) C4'-P energy: -48.910
bonds (distance) P-C4' energy: -56.594
flat angles C4'-P-C4' energy: -52.503
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -86.647
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: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -938.789679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.789679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.789679 (E_RNA)
where:
Base-Base interactions energy: -651.920
where: short stacking energy: -281.980
Base-Backbone interact. energy: 0.977
local terms energy: -287.847431
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -44.912
tors. eta vs tors. theta energy: -84.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -870.253545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.253545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.253545 (E_RNA)
where:
Base-Base interactions energy: -615.716
where: short stacking energy: -238.837
Base-Backbone interact. energy: -1.605
local terms energy: -252.932814
where:
bonds (distance) C4'-P energy: -40.367
bonds (distance) P-C4' energy: -53.226
flat angles C4'-P-C4' energy: -49.995
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -75.622
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: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -810.525011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.525011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.525011 (E_RNA)
where:
Base-Base interactions energy: -556.331
where: short stacking energy: -253.844
Base-Backbone interact. energy: 1.238
local terms energy: -255.431994
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -48.934
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -63.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -776.750005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.750005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.750005 (E_RNA)
where:
Base-Base interactions energy: -537.123
where: short stacking energy: -235.317
Base-Backbone interact. energy: 0.804
local terms energy: -240.431234
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -45.036
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -33.314
tors. eta vs tors. theta energy: -67.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -745.875962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.875962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.875962 (E_RNA)
where:
Base-Base interactions energy: -517.840
where: short stacking energy: -230.831
Base-Backbone interact. energy: 0.284
local terms energy: -228.320198
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -30.639
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: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -696.206907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.206907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.206907 (E_RNA)
where:
Base-Base interactions energy: -469.292
where: short stacking energy: -195.226
Base-Backbone interact. energy: -1.245
local terms energy: -225.669620
where:
bonds (distance) C4'-P energy: -49.990
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -44.525
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -51.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -478.941432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.941432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.941432 (E_RNA)
where:
Base-Base interactions energy: -295.323
where: short stacking energy: -149.720
Base-Backbone interact. energy: 0.645
local terms energy: -184.263411
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -46.912
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -232.052570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.052570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.052570 (E_RNA)
where:
Base-Base interactions energy: -82.471
where: short stacking energy: -75.665
Base-Backbone interact. energy: 0.215
local terms energy: -149.796833
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -34.414
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -956.076143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.076143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.076143 (E_RNA)
where:
Base-Base interactions energy: -656.226
where: short stacking energy: -281.492
Base-Backbone interact. energy: 0.260
local terms energy: -300.109793
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -64.146
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -87.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -940.580614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.580614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.580614 (E_RNA)
where:
Base-Base interactions energy: -652.308
where: short stacking energy: -278.559
Base-Backbone interact. energy: -0.603
local terms energy: -287.669222
where:
bonds (distance) C4'-P energy: -53.851
bonds (distance) P-C4' energy: -44.029
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -89.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -928.710401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.710401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.710401 (E_RNA)
where:
Base-Base interactions energy: -644.242
where: short stacking energy: -272.750
Base-Backbone interact. energy: -1.195
local terms energy: -283.273027
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -47.124
flat angles C4'-P-C4' energy: -61.270
flat angles P-C4'-P energy: -42.952
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: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -878.026022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.026022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.026022 (E_RNA)
where:
Base-Base interactions energy: -606.341
where: short stacking energy: -243.749
Base-Backbone interact. energy: -0.798
local terms energy: -270.887584
where:
bonds (distance) C4'-P energy: -38.474
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -58.328
flat angles P-C4'-P energy: -47.433
tors. eta vs tors. theta energy: -70.363
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: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -822.581249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.581249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.581249 (E_RNA)
where:
Base-Base interactions energy: -553.625
where: short stacking energy: -250.159
Base-Backbone interact. energy: 0.691
local terms energy: -269.647160
where:
bonds (distance) C4'-P energy: -47.001
bonds (distance) P-C4' energy: -51.299
flat angles C4'-P-C4' energy: -61.322
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -67.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -795.620170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.620170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.620170 (E_RNA)
where:
Base-Base interactions energy: -543.848
where: short stacking energy: -236.202
Base-Backbone interact. energy: -1.410
local terms energy: -250.361384
where:
bonds (distance) C4'-P energy: -49.495
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -67.797
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: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -737.415489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.415489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.415489 (E_RNA)
where:
Base-Base interactions energy: -514.687
where: short stacking energy: -225.523
Base-Backbone interact. energy: -0.465
local terms energy: -222.264008
where:
bonds (distance) C4'-P energy: -38.674
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -31.505
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: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -672.173525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.173525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.173525 (E_RNA)
where:
Base-Base interactions energy: -465.677
where: short stacking energy: -198.644
Base-Backbone interact. energy: -1.828
local terms energy: -204.668645
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -53.902
flat angles C4'-P-C4' energy: -47.496
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -51.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -479.059806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.059806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.059806 (E_RNA)
where:
Base-Base interactions energy: -285.937
where: short stacking energy: -128.448
Base-Backbone interact. energy: -1.069
local terms energy: -192.053759
where:
bonds (distance) C4'-P energy: -41.834
bonds (distance) P-C4' energy: -47.482
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -26.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -239.771032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.771032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.771032 (E_RNA)
where:
Base-Base interactions energy: -98.990
where: short stacking energy: -56.630
Base-Backbone interact. energy: -1.990
local terms energy: -138.791493
where:
bonds (distance) C4'-P energy: -46.109
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: 4.402
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: 86
Temperature: 0.900000
Total energy: -961.529649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.529649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.529649 (E_RNA)
where:
Base-Base interactions energy: -681.950
where: short stacking energy: -288.470
Base-Backbone interact. energy: 0.501
local terms energy: -280.080280
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -52.615
flat angles C4'-P-C4' energy: -60.729
flat angles P-C4'-P energy: -35.116
tors. eta vs tors. theta energy: -85.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -940.956224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.956224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.956224 (E_RNA)
where:
Base-Base interactions energy: -649.445
where: short stacking energy: -273.558
Base-Backbone interact. energy: 0.281
local terms energy: -291.791784
where:
bonds (distance) C4'-P energy: -50.992
bonds (distance) P-C4' energy: -47.505
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -93.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -921.354675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.354675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.354675 (E_RNA)
where:
Base-Base interactions energy: -634.517
where: short stacking energy: -268.579
Base-Backbone interact. energy: -2.127
local terms energy: -284.711194
where:
bonds (distance) C4'-P energy: -52.635
bonds (distance) P-C4' energy: -41.617
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -35.605
tors. eta vs tors. theta energy: -88.583
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -893.192763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.192763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.192763 (E_RNA)
where:
Base-Base interactions energy: -631.975
where: short stacking energy: -257.946
Base-Backbone interact. energy: -0.208
local terms energy: -261.010105
where:
bonds (distance) C4'-P energy: -46.038
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -60.609
flat angles P-C4'-P energy: -29.946
tors. eta vs tors. theta energy: -75.707
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: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -801.496117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.496117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.496117 (E_RNA)
where:
Base-Base interactions energy: -548.846
where: short stacking energy: -253.307
Base-Backbone interact. energy: -0.831
local terms energy: -251.818752
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -69.161
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -817.684590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.684590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.684590 (E_RNA)
where:
Base-Base interactions energy: -567.729
where: short stacking energy: -256.387
Base-Backbone interact. energy: -0.422
local terms energy: -249.533398
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -71.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -710.688232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.688232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.688232 (E_RNA)
where:
Base-Base interactions energy: -489.734
where: short stacking energy: -198.324
Base-Backbone interact. energy: -2.357
local terms energy: -218.596956
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -46.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -649.204669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.204669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.204669 (E_RNA)
where:
Base-Base interactions energy: -430.040
where: short stacking energy: -178.800
Base-Backbone interact. energy: -0.649
local terms energy: -218.515473
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -44.466
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -494.615208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.615208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.615208 (E_RNA)
where:
Base-Base interactions energy: -309.146
where: short stacking energy: -150.682
Base-Backbone interact. energy: 0.339
local terms energy: -185.808272
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -44.851
flat angles C4'-P-C4' energy: -35.669
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -37.772
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: 86
Temperature: 1.350000
Total energy: -222.413953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.413953 (E_RNA)
where:
Base-Base interactions energy: -74.552
where: short stacking energy: -55.966
Base-Backbone interact. energy: 3.585
local terms energy: -151.446854
where:
bonds (distance) C4'-P energy: -43.883
bonds (distance) P-C4' energy: -50.074
flat angles C4'-P-C4' energy: -39.558
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: 4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -956.895374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.895374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.895374 (E_RNA)
where:
Base-Base interactions energy: -669.597
where: short stacking energy: -264.047
Base-Backbone interact. energy: -0.605
local terms energy: -286.693655
where:
bonds (distance) C4'-P energy: -56.341
bonds (distance) P-C4' energy: -54.383
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -43.326
tors. eta vs tors. theta energy: -77.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -937.796991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.796991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.796991 (E_RNA)
where:
Base-Base interactions energy: -641.047
where: short stacking energy: -286.467
Base-Backbone interact. energy: -0.392
local terms energy: -296.358394
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -46.052
flat angles C4'-P-C4' energy: -59.500
flat angles P-C4'-P energy: -43.360
tors. eta vs tors. theta energy: -88.938
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: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -931.882593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.882593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.882593 (E_RNA)
where:
Base-Base interactions energy: -627.793
where: short stacking energy: -268.780
Base-Backbone interact. energy: -2.033
local terms energy: -302.056335
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -58.104
flat angles C4'-P-C4' energy: -57.185
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -86.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -901.679655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.679655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.679655 (E_RNA)
where:
Base-Base interactions energy: -628.760
where: short stacking energy: -259.240
Base-Backbone interact. energy: -1.187
local terms energy: -271.731751
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -52.138
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -37.411
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: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -809.827866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.827866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.827866 (E_RNA)
where:
Base-Base interactions energy: -558.243
where: short stacking energy: -249.853
Base-Backbone interact. energy: 0.844
local terms energy: -252.429114
where:
bonds (distance) C4'-P energy: -55.235
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -66.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -817.759656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.759656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.759656 (E_RNA)
where:
Base-Base interactions energy: -561.916
where: short stacking energy: -239.839
Base-Backbone interact. energy: -0.718
local terms energy: -255.125917
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -48.899
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -68.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -716.013491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.013491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.013491 (E_RNA)
where:
Base-Base interactions energy: -495.225
where: short stacking energy: -221.197
Base-Backbone interact. energy: -1.187
local terms energy: -219.601086
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -47.136
flat angles P-C4'-P energy: -27.409
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: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -521.221624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.221624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.221624 (E_RNA)
where:
Base-Base interactions energy: -311.754
where: short stacking energy: -150.845
Base-Backbone interact. energy: -0.701
local terms energy: -208.767369
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -43.125
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -29.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -598.688227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.688227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.688227 (E_RNA)
where:
Base-Base interactions energy: -402.637
where: short stacking energy: -146.531
Base-Backbone interact. energy: -1.434
local terms energy: -194.617800
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -39.139
flat angles C4'-P-C4' energy: -39.560
flat angles P-C4'-P energy: -34.703
tors. eta vs tors. theta energy: -33.037
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: 87
Temperature: 1.350000
Total energy: -225.152189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.152189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.152189 (E_RNA)
where:
Base-Base interactions energy: -81.656
where: short stacking energy: -66.323
Base-Backbone interact. energy: -1.802
local terms energy: -141.694076
where:
bonds (distance) C4'-P energy: -46.749
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -42.127
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: 4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -951.726070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.726070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.726070 (E_RNA)
where:
Base-Base interactions energy: -667.340
where: short stacking energy: -276.705
Base-Backbone interact. energy: 1.301
local terms energy: -285.686834
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -54.382
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -81.360
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: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -958.828446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.828446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.828446 (E_RNA)
where:
Base-Base interactions energy: -672.556
where: short stacking energy: -292.928
Base-Backbone interact. energy: -0.684
local terms energy: -285.588417
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -52.994
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -88.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -925.280038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.280038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.280038 (E_RNA)
where:
Base-Base interactions energy: -634.416
where: short stacking energy: -277.457
Base-Backbone interact. energy: -0.828
local terms energy: -290.036626
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -66.485
flat angles P-C4'-P energy: -40.738
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: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -888.081103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.081103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.081103 (E_RNA)
where:
Base-Base interactions energy: -628.261
where: short stacking energy: -260.582
Base-Backbone interact. energy: -0.941
local terms energy: -258.878660
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -53.540
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -73.419
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: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -808.460821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.460821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.460821 (E_RNA)
where:
Base-Base interactions energy: -540.394
where: short stacking energy: -237.020
Base-Backbone interact. energy: -1.421
local terms energy: -266.645913
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -40.313
tors. eta vs tors. theta energy: -65.881
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: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -822.938902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.938902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.938902 (E_RNA)
where:
Base-Base interactions energy: -576.050
where: short stacking energy: -241.184
Base-Backbone interact. energy: -0.387
local terms energy: -246.501688
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -45.173
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -72.302
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: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -699.052020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.052020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.052020 (E_RNA)
where:
Base-Base interactions energy: -486.238
where: short stacking energy: -192.327
Base-Backbone interact. energy: 1.022
local terms energy: -213.836425
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -54.300
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -45.477
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: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -553.498903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.498903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.498903 (E_RNA)
where:
Base-Base interactions energy: -347.945
where: short stacking energy: -162.927
Base-Backbone interact. energy: 0.007
local terms energy: -205.560842
where:
bonds (distance) C4'-P energy: -47.083
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -44.787
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -41.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -572.810286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.810286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.810286 (E_RNA)
where:
Base-Base interactions energy: -373.372
where: short stacking energy: -164.285
Base-Backbone interact. energy: -1.890
local terms energy: -197.548217
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -56.588
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -37.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -219.250704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.250704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.250704 (E_RNA)
where:
Base-Base interactions energy: -79.468
where: short stacking energy: -78.276
Base-Backbone interact. energy: 0.207
local terms energy: -139.990056
where:
bonds (distance) C4'-P energy: -35.046
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -34.977
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -958.849640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.849640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.849640 (E_RNA)
where:
Base-Base interactions energy: -665.893
where: short stacking energy: -274.475
Base-Backbone interact. energy: -0.777
local terms energy: -292.179080
where:
bonds (distance) C4'-P energy: -52.168
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -80.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -939.538963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.538963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.538963 (E_RNA)
where:
Base-Base interactions energy: -654.710
where: short stacking energy: -290.520
Base-Backbone interact. energy: -0.690
local terms energy: -284.139167
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -57.493
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -90.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -929.454796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.454796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.454796 (E_RNA)
where:
Base-Base interactions energy: -642.657
where: short stacking energy: -268.295
Base-Backbone interact. energy: 0.006
local terms energy: -286.803931
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -59.241
flat angles C4'-P-C4' energy: -52.434
flat angles P-C4'-P energy: -39.051
tors. eta vs tors. theta energy: -83.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -879.889639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.889639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.889639 (E_RNA)
where:
Base-Base interactions energy: -618.946
where: short stacking energy: -254.940
Base-Backbone interact. energy: 0.336
local terms energy: -261.279659
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -40.847
tors. eta vs tors. theta energy: -66.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -804.120456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.120456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.120456 (E_RNA)
where:
Base-Base interactions energy: -546.561
where: short stacking energy: -242.858
Base-Backbone interact. energy: 3.570
local terms energy: -261.128975
where:
bonds (distance) C4'-P energy: -47.794
bonds (distance) P-C4' energy: -56.742
flat angles C4'-P-C4' energy: -51.715
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -61.929
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: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -787.230479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.230479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.230479 (E_RNA)
where:
Base-Base interactions energy: -557.771
where: short stacking energy: -242.581
Base-Backbone interact. energy: -0.439
local terms energy: -229.020899
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -45.195
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -61.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -706.387647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.387647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.387647 (E_RNA)
where:
Base-Base interactions energy: -484.693
where: short stacking energy: -200.103
Base-Backbone interact. energy: 1.476
local terms energy: -223.170314
where:
bonds (distance) C4'-P energy: -40.483
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -56.400
flat angles P-C4'-P energy: -26.240
tors. eta vs tors. theta energy: -50.977
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: 89
Temperature: 1.250000
Total energy: -589.419330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.419330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.419330 (E_RNA)
where:
Base-Base interactions energy: -378.400
where: short stacking energy: -162.643
Base-Backbone interact. energy: -1.709
local terms energy: -209.310600
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -33.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -520.035286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.035286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.035286 (E_RNA)
where:
Base-Base interactions energy: -330.888
where: short stacking energy: -164.533
Base-Backbone interact. energy: 0.003
local terms energy: -189.150861
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -41.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -218.666983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.666983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.666983 (E_RNA)
where:
Base-Base interactions energy: -84.394
where: short stacking energy: -72.290
Base-Backbone interact. energy: 4.449
local terms energy: -138.721452
where:
bonds (distance) C4'-P energy: -48.748
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: 7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -956.336476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.336476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.336476 (E_RNA)
where:
Base-Base interactions energy: -663.455
where: short stacking energy: -278.959
Base-Backbone interact. energy: -0.128
local terms energy: -292.752823
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -60.587
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -82.781
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: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -934.423081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.423081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.423081 (E_RNA)
where:
Base-Base interactions energy: -646.339
where: short stacking energy: -280.586
Base-Backbone interact. energy: -1.106
local terms energy: -286.977649
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -50.649
flat angles P-C4'-P energy: -45.932
tors. eta vs tors. theta energy: -89.469
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: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -901.356841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.356841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.356841 (E_RNA)
where:
Base-Base interactions energy: -619.342
where: short stacking energy: -257.265
Base-Backbone interact. energy: -1.065
local terms energy: -280.949708
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -54.104
flat angles C4'-P-C4' energy: -60.760
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -73.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -920.513570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.513570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.513570 (E_RNA)
where:
Base-Base interactions energy: -624.334
where: short stacking energy: -264.277
Base-Backbone interact. energy: 0.488
local terms energy: -296.666985
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -56.832
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -87.090
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: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -812.920164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.920164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.920164 (E_RNA)
where:
Base-Base interactions energy: -555.058
where: short stacking energy: -247.539
Base-Backbone interact. energy: -1.022
local terms energy: -256.840384
where:
bonds (distance) C4'-P energy: -49.553
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -73.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -779.627717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.627717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.627717 (E_RNA)
where:
Base-Base interactions energy: -534.461
where: short stacking energy: -215.976
Base-Backbone interact. energy: -0.890
local terms energy: -244.276132
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -54.392
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -64.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -684.460836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.460836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.460836 (E_RNA)
where:
Base-Base interactions energy: -462.244
where: short stacking energy: -185.296
Base-Backbone interact. energy: -0.755
local terms energy: -221.461474
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -51.665
flat angles C4'-P-C4' energy: -52.457
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -49.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -593.786773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.786773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.786773 (E_RNA)
where:
Base-Base interactions energy: -388.746
where: short stacking energy: -167.891
Base-Backbone interact. energy: -0.332
local terms energy: -204.708535
where:
bonds (distance) C4'-P energy: -44.936
bonds (distance) P-C4' energy: -43.305
flat angles C4'-P-C4' energy: -49.894
flat angles P-C4'-P energy: -34.084
tors. eta vs tors. theta energy: -32.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -445.199097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.199097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.199097 (E_RNA)
where:
Base-Base interactions energy: -272.305
where: short stacking energy: -122.006
Base-Backbone interact. energy: 0.928
local terms energy: -173.822371
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -42.600
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -25.868
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: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -252.944238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.944238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.944238 (E_RNA)
where:
Base-Base interactions energy: -115.440
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.382
local terms energy: -137.122996
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -40.459
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: 9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -965.804831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.804831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.804831 (E_RNA)
where:
Base-Base interactions energy: -686.283
where: short stacking energy: -271.358
Base-Backbone interact. energy: -1.368
local terms energy: -278.153925
where:
bonds (distance) C4'-P energy: -36.912
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -67.657
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -76.405
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: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -952.703513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.703513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.703513 (E_RNA)
where:
Base-Base interactions energy: -654.982
where: short stacking energy: -278.765
Base-Backbone interact. energy: -0.349
local terms energy: -297.372150
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -64.558
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -90.524
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: 91
Temperature: 1.000000
Total energy: -901.572010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.572010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.572010 (E_RNA)
where:
Base-Base interactions energy: -625.318
where: short stacking energy: -253.392
Base-Backbone interact. energy: -1.478
local terms energy: -274.775995
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -43.020
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -40.155
tors. eta vs tors. theta energy: -76.590
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: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -901.086853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.086853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.086853 (E_RNA)
where:
Base-Base interactions energy: -631.891
where: short stacking energy: -252.875
Base-Backbone interact. energy: -1.052
local terms energy: -268.144229
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -55.781
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: -76.498
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: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -794.587362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.587362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.587362 (E_RNA)
where:
Base-Base interactions energy: -550.342
where: short stacking energy: -259.690
Base-Backbone interact. energy: -0.164
local terms energy: -244.081259
where:
bonds (distance) C4'-P energy: -42.314
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -34.058
tors. eta vs tors. theta energy: -74.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -758.251723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.251723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.251723 (E_RNA)
where:
Base-Base interactions energy: -518.135
where: short stacking energy: -221.940
Base-Backbone interact. energy: -0.908
local terms energy: -239.208578
where:
bonds (distance) C4'-P energy: -37.511
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -64.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -631.655351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.655351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.655351 (E_RNA)
where:
Base-Base interactions energy: -435.082
where: short stacking energy: -179.750
Base-Backbone interact. energy: -2.157
local terms energy: -194.416697
where:
bonds (distance) C4'-P energy: -44.400
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -27.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -560.212034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.212034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.212034 (E_RNA)
where:
Base-Base interactions energy: -358.983
where: short stacking energy: -154.363
Base-Backbone interact. energy: -0.765
local terms energy: -200.463776
where:
bonds (distance) C4'-P energy: -37.128
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -23.173
tors. eta vs tors. theta energy: -32.728
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -439.620288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.620288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.620288 (E_RNA)
where:
Base-Base interactions energy: -275.688
where: short stacking energy: -129.679
Base-Backbone interact. energy: -0.556
local terms energy: -163.376532
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -41.952
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -21.367
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: 91
Temperature: 1.350000
Total energy: -221.238003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.238003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.238003 (E_RNA)
where:
Base-Base interactions energy: -74.982
where: short stacking energy: -54.312
Base-Backbone interact. energy: -1.008
local terms energy: -145.248420
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -37.252
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: 11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -968.090552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.090552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.090552 (E_RNA)
where:
Base-Base interactions energy: -673.966
where: short stacking energy: -290.801
Base-Backbone interact. energy: -1.146
local terms energy: -292.978632
where:
bonds (distance) C4'-P energy: -50.283
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -59.944
flat angles P-C4'-P energy: -41.105
tors. eta vs tors. theta energy: -91.342
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: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -935.986662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.986662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.986662 (E_RNA)
where:
Base-Base interactions energy: -636.344
where: short stacking energy: -260.225
Base-Backbone interact. energy: -0.098
local terms energy: -299.544855
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -83.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -886.292816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.292816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.292816 (E_RNA)
where:
Base-Base interactions energy: -619.950
where: short stacking energy: -247.102
Base-Backbone interact. energy: -0.500
local terms energy: -265.842584
where:
bonds (distance) C4'-P energy: -47.063
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -73.234
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: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -855.051449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.051449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.051449 (E_RNA)
where:
Base-Base interactions energy: -593.655
where: short stacking energy: -245.051
Base-Backbone interact. energy: -0.704
local terms energy: -260.692232
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -74.006
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: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -795.850602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.850602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.850602 (E_RNA)
where:
Base-Base interactions energy: -555.278
where: short stacking energy: -239.825
Base-Backbone interact. energy: 0.078
local terms energy: -240.650516
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -46.582
flat angles C4'-P-C4' energy: -54.352
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -60.132
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: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -752.026731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.026731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.026731 (E_RNA)
where:
Base-Base interactions energy: -510.098
where: short stacking energy: -223.545
Base-Backbone interact. energy: 0.473
local terms energy: -242.401855
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -56.039
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -65.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -673.068221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.068221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.068221 (E_RNA)
where:
Base-Base interactions energy: -458.375
where: short stacking energy: -190.189
Base-Backbone interact. energy: 2.759
local terms energy: -217.451884
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -44.742
flat angles C4'-P-C4' energy: -48.995
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -41.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -569.227274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.227274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.227274 (E_RNA)
where:
Base-Base interactions energy: -371.328
where: short stacking energy: -159.271
Base-Backbone interact. energy: -1.097
local terms energy: -196.802519
where:
bonds (distance) C4'-P energy: -39.809
bonds (distance) P-C4' energy: -48.997
flat angles C4'-P-C4' energy: -44.720
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -30.757
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -438.228666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.228666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.228666 (E_RNA)
where:
Base-Base interactions energy: -264.985
where: short stacking energy: -141.958
Base-Backbone interact. energy: -0.937
local terms energy: -172.307127
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -40.000
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -205.265724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.265724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.265724 (E_RNA)
where:
Base-Base interactions energy: -78.410
where: short stacking energy: -63.902
Base-Backbone interact. energy: 1.524
local terms energy: -128.379445
where:
bonds (distance) C4'-P energy: -37.134
bonds (distance) P-C4' energy: -39.881
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: 7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -973.007033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.007033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.007033 (E_RNA)
where:
Base-Base interactions energy: -664.265
where: short stacking energy: -287.491
Base-Backbone interact. energy: -0.791
local terms energy: -307.951582
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -61.414
flat angles C4'-P-C4' energy: -60.011
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -89.047
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: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -941.168529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.168529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.168529 (E_RNA)
where:
Base-Base interactions energy: -654.859
where: short stacking energy: -266.443
Base-Backbone interact. energy: 3.040
local terms energy: -289.349439
where:
bonds (distance) C4'-P energy: -54.668
bonds (distance) P-C4' energy: -50.677
flat angles C4'-P-C4' energy: -60.579
flat angles P-C4'-P energy: -44.561
tors. eta vs tors. theta energy: -78.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -915.478632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.478632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.478632 (E_RNA)
where:
Base-Base interactions energy: -629.057
where: short stacking energy: -258.150
Base-Backbone interact. energy: -1.779
local terms energy: -284.643119
where:
bonds (distance) C4'-P energy: -56.684
bonds (distance) P-C4' energy: -51.851
flat angles C4'-P-C4' energy: -62.894
flat angles P-C4'-P energy: -38.663
tors. eta vs tors. theta energy: -74.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -860.157770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.157770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.157770 (E_RNA)
where:
Base-Base interactions energy: -608.183
where: short stacking energy: -258.678
Base-Backbone interact. energy: -0.183
local terms energy: -251.791797
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -65.124
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -83.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -818.466149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.466149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.466149 (E_RNA)
where:
Base-Base interactions energy: -561.099
where: short stacking energy: -249.338
Base-Backbone interact. energy: -0.239
local terms energy: -257.127841
where:
bonds (distance) C4'-P energy: -49.246
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: -71.394
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: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -770.026424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.026424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.026424 (E_RNA)
where:
Base-Base interactions energy: -529.184
where: short stacking energy: -217.417
Base-Backbone interact. energy: 1.616
local terms energy: -242.459266
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -42.954
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -71.060
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: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -682.567368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.567368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.567368 (E_RNA)
where:
Base-Base interactions energy: -462.581
where: short stacking energy: -185.696
Base-Backbone interact. energy: -1.292
local terms energy: -218.694427
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -40.387
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -50.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -573.089206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.089206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.089206 (E_RNA)
where:
Base-Base interactions energy: -370.709
where: short stacking energy: -160.546
Base-Backbone interact. energy: 0.661
local terms energy: -203.040694
where:
bonds (distance) C4'-P energy: -54.287
bonds (distance) P-C4' energy: -43.901
flat angles C4'-P-C4' energy: -52.172
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -461.755360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.755360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.755360 (E_RNA)
where:
Base-Base interactions energy: -277.321
where: short stacking energy: -136.942
Base-Backbone interact. energy: -0.031
local terms energy: -184.403223
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -28.674
tors. eta vs tors. theta energy: -22.313
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: 93
Temperature: 1.350000
Total energy: -230.957586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.957586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.957586 (E_RNA)
where:
Base-Base interactions energy: -94.272
where: short stacking energy: -68.540
Base-Backbone interact. energy: -1.268
local terms energy: -135.417833
where:
bonds (distance) C4'-P energy: -36.757
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -40.532
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: 12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -969.629184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.629184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.629184 (E_RNA)
where:
Base-Base interactions energy: -660.995
where: short stacking energy: -281.816
Base-Backbone interact. energy: -0.574
local terms energy: -308.059623
where:
bonds (distance) C4'-P energy: -57.143
bonds (distance) P-C4' energy: -59.256
flat angles C4'-P-C4' energy: -63.254
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -95.361
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: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -939.525565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.525565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.525565 (E_RNA)
where:
Base-Base interactions energy: -639.678
where: short stacking energy: -280.736
Base-Backbone interact. energy: -0.739
local terms energy: -299.108887
where:
bonds (distance) C4'-P energy: -55.396
bonds (distance) P-C4' energy: -51.154
flat angles C4'-P-C4' energy: -60.554
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -87.100
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: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -902.788709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.788709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.788709 (E_RNA)
where:
Base-Base interactions energy: -627.805
where: short stacking energy: -258.537
Base-Backbone interact. energy: 1.960
local terms energy: -276.943900
where:
bonds (distance) C4'-P energy: -53.895
bonds (distance) P-C4' energy: -51.586
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -43.891
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -889.594668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.594668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.594668 (E_RNA)
where:
Base-Base interactions energy: -609.362
where: short stacking energy: -260.045
Base-Backbone interact. energy: -1.723
local terms energy: -278.509759
where:
bonds (distance) C4'-P energy: -45.429
bonds (distance) P-C4' energy: -53.031
flat angles C4'-P-C4' energy: -61.687
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -77.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -801.256235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.256235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.256235 (E_RNA)
where:
Base-Base interactions energy: -529.799
where: short stacking energy: -221.851
Base-Backbone interact. energy: 0.245
local terms energy: -271.702152
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -58.654
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -39.955
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: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -766.410219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.410219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.410219 (E_RNA)
where:
Base-Base interactions energy: -520.963
where: short stacking energy: -220.882
Base-Backbone interact. energy: -0.593
local terms energy: -244.854678
where:
bonds (distance) C4'-P energy: -46.259
bonds (distance) P-C4' energy: -44.645
flat angles C4'-P-C4' energy: -52.040
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: -68.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -703.499537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.499537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.499537 (E_RNA)
where:
Base-Base interactions energy: -477.686
where: short stacking energy: -190.187
Base-Backbone interact. energy: -0.988
local terms energy: -224.825500
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -39.390
flat angles C4'-P-C4' energy: -59.642
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -45.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -527.703288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.703288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.703288 (E_RNA)
where:
Base-Base interactions energy: -341.945
where: short stacking energy: -144.628
Base-Backbone interact. energy: -0.659
local terms energy: -185.098757
where:
bonds (distance) C4'-P energy: -46.124
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -39.317
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -28.520
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: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -474.300161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.300161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.300161 (E_RNA)
where:
Base-Base interactions energy: -292.618
where: short stacking energy: -142.164
Base-Backbone interact. energy: -0.059
local terms energy: -181.623153
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -50.778
flat angles C4'-P-C4' energy: -49.008
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -237.367836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.367836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.367836 (E_RNA)
where:
Base-Base interactions energy: -82.722
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.395
local terms energy: -154.250148
where:
bonds (distance) C4'-P energy: -41.368
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -40.274
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -967.649245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.649245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.649245 (E_RNA)
where:
Base-Base interactions energy: -664.276
where: short stacking energy: -289.765
Base-Backbone interact. energy: -1.182
local terms energy: -302.190878
where:
bonds (distance) C4'-P energy: -50.836
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -60.268
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -89.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -946.292016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.292016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.292016 (E_RNA)
where:
Base-Base interactions energy: -651.609
where: short stacking energy: -274.532
Base-Backbone interact. energy: -3.028
local terms energy: -291.654562
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -56.319
flat angles C4'-P-C4' energy: -58.533
flat angles P-C4'-P energy: -39.302
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: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -926.518507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.518507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.518507 (E_RNA)
where:
Base-Base interactions energy: -650.319
where: short stacking energy: -276.658
Base-Backbone interact. energy: -0.837
local terms energy: -275.362468
where:
bonds (distance) C4'-P energy: -48.074
bonds (distance) P-C4' energy: -56.785
flat angles C4'-P-C4' energy: -54.897
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -77.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -887.705476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.705476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.705476 (E_RNA)
where:
Base-Base interactions energy: -616.241
where: short stacking energy: -265.277
Base-Backbone interact. energy: -1.651
local terms energy: -269.814020
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -37.306
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -822.033489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.033489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.033489 (E_RNA)
where:
Base-Base interactions energy: -555.043
where: short stacking energy: -244.876
Base-Backbone interact. energy: -1.005
local terms energy: -265.985921
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -77.061
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: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -772.450232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.450232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.450232 (E_RNA)
where:
Base-Base interactions energy: -524.681
where: short stacking energy: -217.519
Base-Backbone interact. energy: -0.304
local terms energy: -247.465860
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -52.134
flat angles P-C4'-P energy: -39.255
tors. eta vs tors. theta energy: -64.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -707.152897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.152897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.152897 (E_RNA)
where:
Base-Base interactions energy: -485.855
where: short stacking energy: -219.260
Base-Backbone interact. energy: -0.192
local terms energy: -221.105962
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -61.785
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -627.130945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.130945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.130945 (E_RNA)
where:
Base-Base interactions energy: -423.551
where: short stacking energy: -200.156
Base-Backbone interact. energy: -0.769
local terms energy: -202.811165
where:
bonds (distance) C4'-P energy: -34.423
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -47.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -468.666768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.666768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.666768 (E_RNA)
where:
Base-Base interactions energy: -278.832
where: short stacking energy: -141.084
Base-Backbone interact. energy: -0.005
local terms energy: -189.829843
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -50.497
flat angles C4'-P-C4' energy: -51.093
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -32.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -243.148131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.148131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.148131 (E_RNA)
where:
Base-Base interactions energy: -81.102
where: short stacking energy: -52.148
Base-Backbone interact. energy: -1.129
local terms energy: -160.917023
where:
bonds (distance) C4'-P energy: -43.212
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: 3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -979.726503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.726503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.726503 (E_RNA)
where:
Base-Base interactions energy: -672.194
where: short stacking energy: -296.495
Base-Backbone interact. energy: -1.256
local terms energy: -306.276543
where:
bonds (distance) C4'-P energy: -56.456
bonds (distance) P-C4' energy: -54.749
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -89.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -921.095448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.095448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.095448 (E_RNA)
where:
Base-Base interactions energy: -645.715
where: short stacking energy: -272.741
Base-Backbone interact. energy: -1.116
local terms energy: -274.264434
where:
bonds (distance) C4'-P energy: -50.114
bonds (distance) P-C4' energy: -47.231
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -40.133
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: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -896.842634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.842634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.842634 (E_RNA)
where:
Base-Base interactions energy: -610.446
where: short stacking energy: -258.870
Base-Backbone interact. energy: -0.823
local terms energy: -285.573457
where:
bonds (distance) C4'-P energy: -58.621
bonds (distance) P-C4' energy: -47.089
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -45.626
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: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -877.505361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.505361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.505361 (E_RNA)
where:
Base-Base interactions energy: -627.766
where: short stacking energy: -242.639
Base-Backbone interact. energy: 3.341
local terms energy: -253.080651
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -57.351
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -71.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -825.769957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.769957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.769957 (E_RNA)
where:
Base-Base interactions energy: -550.348
where: short stacking energy: -246.138
Base-Backbone interact. energy: -0.122
local terms energy: -275.300026
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -58.829
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -73.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -782.773303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.773303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.773303 (E_RNA)
where:
Base-Base interactions energy: -543.308
where: short stacking energy: -253.303
Base-Backbone interact. energy: -0.951
local terms energy: -238.514383
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -49.569
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -69.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -704.099761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.099761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.099761 (E_RNA)
where:
Base-Base interactions energy: -483.991
where: short stacking energy: -190.623
Base-Backbone interact. energy: -0.976
local terms energy: -219.132930
where:
bonds (distance) C4'-P energy: -52.176
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -53.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -636.565298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.565298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.565298 (E_RNA)
where:
Base-Base interactions energy: -401.445
where: short stacking energy: -166.109
Base-Backbone interact. energy: 0.156
local terms energy: -235.275764
where:
bonds (distance) C4'-P energy: -54.986
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -49.805
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -43.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -476.054646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.054646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.054646 (E_RNA)
where:
Base-Base interactions energy: -295.930
where: short stacking energy: -134.825
Base-Backbone interact. energy: 0.524
local terms energy: -180.648669
where:
bonds (distance) C4'-P energy: -49.258
bonds (distance) P-C4' energy: -38.951
flat angles C4'-P-C4' energy: -46.721
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -19.277
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: 96
Temperature: 1.350000
Total energy: -226.877274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.877274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.877274 (E_RNA)
where:
Base-Base interactions energy: -84.035
where: short stacking energy: -79.491
Base-Backbone interact. energy: 1.275
local terms energy: -144.116560
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -43.196
flat angles C4'-P-C4' energy: -39.191
flat angles P-C4'-P energy: -17.926
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: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -941.330662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.330662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.330662 (E_RNA)
where:
Base-Base interactions energy: -650.833
where: short stacking energy: -276.178
Base-Backbone interact. energy: -1.309
local terms energy: -289.188587
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -50.488
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -89.486
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: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -938.571520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.571520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.571520 (E_RNA)
where:
Base-Base interactions energy: -662.613
where: short stacking energy: -275.158
Base-Backbone interact. energy: -1.320
local terms energy: -274.638940
where:
bonds (distance) C4'-P energy: -43.789
bonds (distance) P-C4' energy: -44.476
flat angles C4'-P-C4' energy: -63.784
flat angles P-C4'-P energy: -38.789
tors. eta vs tors. theta energy: -83.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -898.881960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.881960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.881960 (E_RNA)
where:
Base-Base interactions energy: -625.974
where: short stacking energy: -276.261
Base-Backbone interact. energy: -1.424
local terms energy: -271.484056
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -57.122
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -81.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -827.846297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.846297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.846297 (E_RNA)
where:
Base-Base interactions energy: -565.793
where: short stacking energy: -248.989
Base-Backbone interact. energy: 2.136
local terms energy: -264.189307
where:
bonds (distance) C4'-P energy: -54.888
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -56.307
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -64.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -861.687206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.687206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.687206 (E_RNA)
where:
Base-Base interactions energy: -601.807
where: short stacking energy: -251.262
Base-Backbone interact. energy: -1.315
local terms energy: -258.565032
where:
bonds (distance) C4'-P energy: -47.584
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -67.825
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -800.186275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.186275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.186275 (E_RNA)
where:
Base-Base interactions energy: -558.057
where: short stacking energy: -233.987
Base-Backbone interact. energy: -0.715
local terms energy: -241.414988
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -55.241
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -731.146470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.146470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.146470 (E_RNA)
where:
Base-Base interactions energy: -513.845
where: short stacking energy: -205.182
Base-Backbone interact. energy: -0.876
local terms energy: -216.425647
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -47.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -607.206415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.206415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.206415 (E_RNA)
where:
Base-Base interactions energy: -383.028
where: short stacking energy: -172.027
Base-Backbone interact. energy: -1.015
local terms energy: -223.163704
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -43.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -494.495142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.495142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.495142 (E_RNA)
where:
Base-Base interactions energy: -301.951
where: short stacking energy: -143.295
Base-Backbone interact. energy: -0.030
local terms energy: -192.514337
where:
bonds (distance) C4'-P energy: -50.114
bonds (distance) P-C4' energy: -43.466
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -36.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -234.785532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.785532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.785532 (E_RNA)
where:
Base-Base interactions energy: -101.552
where: short stacking energy: -93.789
Base-Backbone interact. energy: -1.086
local terms energy: -132.147220
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -946.188072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.188072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.188072 (E_RNA)
where:
Base-Base interactions energy: -652.161
where: short stacking energy: -276.975
Base-Backbone interact. energy: 1.684
local terms energy: -295.711187
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -51.947
flat angles C4'-P-C4' energy: -63.525
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -85.101
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: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -939.224779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.224779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.224779 (E_RNA)
where:
Base-Base interactions energy: -658.178
where: short stacking energy: -290.458
Base-Backbone interact. energy: -1.378
local terms energy: -279.668294
where:
bonds (distance) C4'-P energy: -48.016
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -59.453
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -87.187
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: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -916.315245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.315245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.315245 (E_RNA)
where:
Base-Base interactions energy: -633.706
where: short stacking energy: -264.440
Base-Backbone interact. energy: -1.069
local terms energy: -281.540704
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -84.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -844.999486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.999486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.999486 (E_RNA)
where:
Base-Base interactions energy: -575.448
where: short stacking energy: -248.223
Base-Backbone interact. energy: -0.561
local terms energy: -268.990136
where:
bonds (distance) C4'-P energy: -50.762
bonds (distance) P-C4' energy: -51.059
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -40.068
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: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -832.589063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.589063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.589063 (E_RNA)
where:
Base-Base interactions energy: -558.230
where: short stacking energy: -243.059
Base-Backbone interact. energy: 0.161
local terms energy: -274.520125
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -75.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -821.702623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.702623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.702623 (E_RNA)
where:
Base-Base interactions energy: -586.830
where: short stacking energy: -231.529
Base-Backbone interact. energy: -1.017
local terms energy: -233.855571
where:
bonds (distance) C4'-P energy: -43.316
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -38.323
tors. eta vs tors. theta energy: -62.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -740.384216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.384216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.384216 (E_RNA)
where:
Base-Base interactions energy: -503.227
where: short stacking energy: -227.394
Base-Backbone interact. energy: 0.018
local terms energy: -237.175232
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -52.460
flat angles P-C4'-P energy: -38.175
tors. eta vs tors. theta energy: -63.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -595.104271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.104271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.104271 (E_RNA)
where:
Base-Base interactions energy: -383.144
where: short stacking energy: -164.960
Base-Backbone interact. energy: -1.326
local terms energy: -210.634053
where:
bonds (distance) C4'-P energy: -49.017
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -46.136
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -39.974
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: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -485.510662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.510662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.510662 (E_RNA)
where:
Base-Base interactions energy: -294.097
where: short stacking energy: -139.234
Base-Backbone interact. energy: 0.162
local terms energy: -191.575306
where:
bonds (distance) C4'-P energy: -42.748
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -46.730
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -28.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -222.898972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.898972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.898972 (E_RNA)
where:
Base-Base interactions energy: -67.778
where: short stacking energy: -60.048
Base-Backbone interact. energy: -0.767
local terms energy: -154.353826
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -49.749
flat angles C4'-P-C4' energy: -42.885
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: 12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -960.208762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.208762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.208762 (E_RNA)
where:
Base-Base interactions energy: -669.155
where: short stacking energy: -283.806
Base-Backbone interact. energy: 0.538
local terms energy: -291.591709
where:
bonds (distance) C4'-P energy: -54.804
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -85.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -943.521912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.521912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.521912 (E_RNA)
where:
Base-Base interactions energy: -648.423
where: short stacking energy: -278.745
Base-Backbone interact. energy: 0.656
local terms energy: -295.754749
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -56.527
flat angles C4'-P-C4' energy: -56.073
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -90.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -904.316317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.316317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.316317 (E_RNA)
where:
Base-Base interactions energy: -627.017
where: short stacking energy: -270.423
Base-Backbone interact. energy: -0.565
local terms energy: -276.734387
where:
bonds (distance) C4'-P energy: -53.386
bonds (distance) P-C4' energy: -53.017
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -40.364
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: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -842.701866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.701866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.701866 (E_RNA)
where:
Base-Base interactions energy: -579.595
where: short stacking energy: -255.936
Base-Backbone interact. energy: -1.128
local terms energy: -261.978738
where:
bonds (distance) C4'-P energy: -48.106
bonds (distance) P-C4' energy: -48.389
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -77.784
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: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -786.177084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.177084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.177084 (E_RNA)
where:
Base-Base interactions energy: -550.542
where: short stacking energy: -260.831
Base-Backbone interact. energy: -1.999
local terms energy: -233.636881
where:
bonds (distance) C4'-P energy: -40.476
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -47.036
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -67.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -810.213280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.213280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.213280 (E_RNA)
where:
Base-Base interactions energy: -563.655
where: short stacking energy: -232.641
Base-Backbone interact. energy: -1.491
local terms energy: -245.067611
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -48.792
flat angles C4'-P-C4' energy: -55.926
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: -62.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -759.024287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.024287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.024287 (E_RNA)
where:
Base-Base interactions energy: -530.239
where: short stacking energy: -214.292
Base-Backbone interact. energy: 3.752
local terms energy: -232.537995
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -46.111
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -62.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -515.539863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.539863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.539863 (E_RNA)
where:
Base-Base interactions energy: -315.187
where: short stacking energy: -137.280
Base-Backbone interact. energy: 2.408
local terms energy: -202.760884
where:
bonds (distance) C4'-P energy: -50.198
bonds (distance) P-C4' energy: -45.054
flat angles C4'-P-C4' energy: -40.219
flat angles P-C4'-P energy: -38.479
tors. eta vs tors. theta energy: -28.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -554.062492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.062492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.062492 (E_RNA)
where:
Base-Base interactions energy: -375.334
where: short stacking energy: -162.601
Base-Backbone interact. energy: -0.134
local terms energy: -178.594485
where:
bonds (distance) C4'-P energy: -38.885
bonds (distance) P-C4' energy: -45.876
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -248.377886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.377886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.377886 (E_RNA)
where:
Base-Base interactions energy: -88.144
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.589
local terms energy: -159.644943
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -45.657
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -975.033267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.033267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.033267 (E_RNA)
where:
Base-Base interactions energy: -668.394
where: short stacking energy: -283.612
Base-Backbone interact. energy: 0.345
local terms energy: -306.985029
where:
bonds (distance) C4'-P energy: -58.409
bonds (distance) P-C4' energy: -58.426
flat angles C4'-P-C4' energy: -61.923
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -89.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -933.441333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.441333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.441333 (E_RNA)
where:
Base-Base interactions energy: -644.809
where: short stacking energy: -271.352
Base-Backbone interact. energy: 0.411
local terms energy: -289.042692
where:
bonds (distance) C4'-P energy: -50.475
bonds (distance) P-C4' energy: -56.729
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -80.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -895.809521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.809521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.809521 (E_RNA)
where:
Base-Base interactions energy: -621.609
where: short stacking energy: -269.133
Base-Backbone interact. energy: -0.760
local terms energy: -273.440101
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -80.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -867.640997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.640997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.640997 (E_RNA)
where:
Base-Base interactions energy: -602.708
where: short stacking energy: -258.139
Base-Backbone interact. energy: 0.864
local terms energy: -265.796929
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -52.396
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -68.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -828.232265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.232265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.232265 (E_RNA)
where:
Base-Base interactions energy: -585.300
where: short stacking energy: -226.128
Base-Backbone interact. energy: -1.922
local terms energy: -241.010129
where:
bonds (distance) C4'-P energy: -57.261
bonds (distance) P-C4' energy: -50.182
flat angles C4'-P-C4' energy: -49.285
flat angles P-C4'-P energy: -26.251
tors. eta vs tors. theta energy: -58.031
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: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -785.881258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.881258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.881258 (E_RNA)
where:
Base-Base interactions energy: -550.346
where: short stacking energy: -237.025
Base-Backbone interact. energy: -0.475
local terms energy: -235.059685
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -43.967
flat angles C4'-P-C4' energy: -41.623
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -69.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -750.023240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.023240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.023240 (E_RNA)
where:
Base-Base interactions energy: -502.953
where: short stacking energy: -213.444
Base-Backbone interact. energy: 1.477
local terms energy: -248.546818
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -53.210
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -62.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -565.102037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.102037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.102037 (E_RNA)
where:
Base-Base interactions energy: -373.056
where: short stacking energy: -165.244
Base-Backbone interact. energy: 2.378
local terms energy: -194.423196
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -38.142
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -42.418
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: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -572.404742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.404742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.404742 (E_RNA)
where:
Base-Base interactions energy: -379.738
where: short stacking energy: -165.926
Base-Backbone interact. energy: -0.294
local terms energy: -192.372510
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -38.323
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: 100
Temperature: 1.350000
Total energy: -230.702791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.702791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.702791 (E_RNA)
where:
Base-Base interactions energy: -80.831
where: short stacking energy: -74.186
Base-Backbone interact. energy: -1.101
local terms energy: -148.770096
where:
bonds (distance) C4'-P energy: -48.715
bonds (distance) P-C4' energy: -42.685
flat angles C4'-P-C4' energy: -39.078
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -973.200266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.200266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.200266 (E_RNA)
where:
Base-Base interactions energy: -670.215
where: short stacking energy: -283.648
Base-Backbone interact. energy: -0.928
local terms energy: -302.057959
where:
bonds (distance) C4'-P energy: -51.226
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -91.405
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: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -937.705541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.705541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.705541 (E_RNA)
where:
Base-Base interactions energy: -647.470
where: short stacking energy: -283.504
Base-Backbone interact. energy: 0.871
local terms energy: -291.106504
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -63.397
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -86.393
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -937.619661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.619661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.619661 (E_RNA)
where:
Base-Base interactions energy: -640.777
where: short stacking energy: -271.800
Base-Backbone interact. energy: -0.891
local terms energy: -295.952390
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -51.739
flat angles C4'-P-C4' energy: -53.036
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -89.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -842.523657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.523657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.523657 (E_RNA)
where:
Base-Base interactions energy: -575.931
where: short stacking energy: -235.406
Base-Backbone interact. energy: -1.547
local terms energy: -265.045924
where:
bonds (distance) C4'-P energy: -51.283
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -71.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -830.571349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.571349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.571349 (E_RNA)
where:
Base-Base interactions energy: -564.967
where: short stacking energy: -227.467
Base-Backbone interact. energy: -0.983
local terms energy: -264.621217
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -53.198
flat angles C4'-P-C4' energy: -63.457
flat angles P-C4'-P energy: -42.136
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: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -784.930260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.930260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.930260 (E_RNA)
where:
Base-Base interactions energy: -529.311
where: short stacking energy: -233.520
Base-Backbone interact. energy: -2.292
local terms energy: -253.327773
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -52.076
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -33.983
tors. eta vs tors. theta energy: -66.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -757.153877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.153877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.153877 (E_RNA)
where:
Base-Base interactions energy: -516.942
where: short stacking energy: -221.599
Base-Backbone interact. energy: -0.528
local terms energy: -239.684112
where:
bonds (distance) C4'-P energy: -36.109
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -63.645
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -56.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -620.717868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.717868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.717868 (E_RNA)
where:
Base-Base interactions energy: -409.267
where: short stacking energy: -182.790
Base-Backbone interact. energy: -0.664
local terms energy: -210.786970
where:
bonds (distance) C4'-P energy: -49.304
bonds (distance) P-C4' energy: -51.886
flat angles C4'-P-C4' energy: -40.246
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -45.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -560.060109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.060109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.060109 (E_RNA)
where:
Base-Base interactions energy: -367.768
where: short stacking energy: -157.233
Base-Backbone interact. energy: 0.019
local terms energy: -192.311239
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -44.235
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -30.108
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: 101
Temperature: 1.350000
Total energy: -237.016854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.016854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.016854 (E_RNA)
where:
Base-Base interactions energy: -79.371
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.907
local terms energy: -156.739183
where:
bonds (distance) C4'-P energy: -41.475
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -45.267
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: 0.046
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: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -971.371467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.371467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.371467 (E_RNA)
where:
Base-Base interactions energy: -664.296
where: short stacking energy: -282.871
Base-Backbone interact. energy: -1.367
local terms energy: -305.708174
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -57.490
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -94.405
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: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -945.818009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.818009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.818009 (E_RNA)
where:
Base-Base interactions energy: -666.464
where: short stacking energy: -293.610
Base-Backbone interact. energy: -1.436
local terms energy: -277.917914
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -57.379
flat angles C4'-P-C4' energy: -49.621
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -87.562
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: 102
Temperature: 1.000000
Total energy: -923.153242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.153242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.153242 (E_RNA)
where:
Base-Base interactions energy: -632.707
where: short stacking energy: -266.060
Base-Backbone interact. energy: 0.254
local terms energy: -290.699518
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -54.074
flat angles C4'-P-C4' energy: -49.948
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -80.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -817.568914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.568914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.568914 (E_RNA)
where:
Base-Base interactions energy: -565.917
where: short stacking energy: -232.485
Base-Backbone interact. energy: 2.824
local terms energy: -254.475713
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: -65.689
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: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -803.664588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.664588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.664588 (E_RNA)
where:
Base-Base interactions energy: -555.239
where: short stacking energy: -231.394
Base-Backbone interact. energy: 0.161
local terms energy: -248.585652
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -40.794
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: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -776.995092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.995092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.995092 (E_RNA)
where:
Base-Base interactions energy: -531.573
where: short stacking energy: -227.740
Base-Backbone interact. energy: -0.394
local terms energy: -245.027859
where:
bonds (distance) C4'-P energy: -51.419
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -46.691
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -60.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -618.540452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.540452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.540452 (E_RNA)
where:
Base-Base interactions energy: -420.528
where: short stacking energy: -179.988
Base-Backbone interact. energy: 1.954
local terms energy: -199.966888
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -47.541
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -42.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -722.531038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.531038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.531038 (E_RNA)
where:
Base-Base interactions energy: -506.016
where: short stacking energy: -201.212
Base-Backbone interact. energy: -2.333
local terms energy: -214.182391
where:
bonds (distance) C4'-P energy: -39.590
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -48.782
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -52.595
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: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -539.818069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.818069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.818069 (E_RNA)
where:
Base-Base interactions energy: -344.813
where: short stacking energy: -149.417
Base-Backbone interact. energy: 0.798
local terms energy: -195.803634
where:
bonds (distance) C4'-P energy: -35.891
bonds (distance) P-C4' energy: -44.386
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -30.857
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: 102
Temperature: 1.350000
Total energy: -217.965746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.965746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.965746 (E_RNA)
where:
Base-Base interactions energy: -70.734
where: short stacking energy: -61.214
Base-Backbone interact. energy: 0.807
local terms energy: -148.038980
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: 7.249
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: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -968.276987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.276987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.276987 (E_RNA)
where:
Base-Base interactions energy: -677.714
where: short stacking energy: -290.728
Base-Backbone interact. energy: -0.298
local terms energy: -290.264797
where:
bonds (distance) C4'-P energy: -59.250
bonds (distance) P-C4' energy: -45.821
flat angles C4'-P-C4' energy: -57.551
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -89.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -932.316609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.316609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.316609 (E_RNA)
where:
Base-Base interactions energy: -645.429
where: short stacking energy: -278.011
Base-Backbone interact. energy: 1.541
local terms energy: -288.428642
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -55.538
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -84.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -897.402314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.402314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.402314 (E_RNA)
where:
Base-Base interactions energy: -608.851
where: short stacking energy: -268.324
Base-Backbone interact. energy: -3.700
local terms energy: -284.850799
where:
bonds (distance) C4'-P energy: -40.736
bonds (distance) P-C4' energy: -57.578
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -89.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -838.854838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.854838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.854838 (E_RNA)
where:
Base-Base interactions energy: -578.970
where: short stacking energy: -232.513
Base-Backbone interact. energy: -1.163
local terms energy: -258.721737
where:
bonds (distance) C4'-P energy: -51.217
bonds (distance) P-C4' energy: -54.070
flat angles C4'-P-C4' energy: -47.118
flat angles P-C4'-P energy: -40.089
tors. eta vs tors. theta energy: -66.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -825.690458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.690458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.690458 (E_RNA)
where:
Base-Base interactions energy: -562.210
where: short stacking energy: -228.435
Base-Backbone interact. energy: -0.511
local terms energy: -262.969283
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -54.634
flat angles P-C4'-P energy: -35.040
tors. eta vs tors. theta energy: -63.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -750.125166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.125166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.125166 (E_RNA)
where:
Base-Base interactions energy: -516.896
where: short stacking energy: -212.927
Base-Backbone interact. energy: -1.745
local terms energy: -231.483471
where:
bonds (distance) C4'-P energy: -48.092
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -46.543
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -632.221763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.221763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.221763 (E_RNA)
where:
Base-Base interactions energy: -404.441
where: short stacking energy: -190.526
Base-Backbone interact. energy: -0.232
local terms energy: -227.548645
where:
bonds (distance) C4'-P energy: -48.418
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -54.031
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: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -564.495424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.495424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.495424 (E_RNA)
where:
Base-Base interactions energy: -362.893
where: short stacking energy: -163.377
Base-Backbone interact. energy: -1.092
local terms energy: -200.510242
where:
bonds (distance) C4'-P energy: -49.772
bonds (distance) P-C4' energy: -43.792
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -31.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -734.055655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.055655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.055655 (E_RNA)
where:
Base-Base interactions energy: -495.907
where: short stacking energy: -221.974
Base-Backbone interact. energy: 4.035
local terms energy: -242.184451
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -41.691
flat angles C4'-P-C4' energy: -52.091
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -72.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -222.337147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.337147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.337147 (E_RNA)
where:
Base-Base interactions energy: -73.309
where: short stacking energy: -47.370
Base-Backbone interact. energy: 1.964
local terms energy: -150.992749
where:
bonds (distance) C4'-P energy: -48.122
bonds (distance) P-C4' energy: -54.202
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: 10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -964.973001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.973001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.973001 (E_RNA)
where:
Base-Base interactions energy: -658.536
where: short stacking energy: -282.786
Base-Backbone interact. energy: -1.668
local terms energy: -304.768773
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -50.629
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -48.189
tors. eta vs tors. theta energy: -92.925
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -943.674768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.674768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.674768 (E_RNA)
where:
Base-Base interactions energy: -644.898
where: short stacking energy: -278.866
Base-Backbone interact. energy: -0.852
local terms energy: -297.925410
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -44.437
tors. eta vs tors. theta energy: -87.583
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: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -859.390119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.390119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.390119 (E_RNA)
where:
Base-Base interactions energy: -592.502
where: short stacking energy: -244.554
Base-Backbone interact. energy: 1.508
local terms energy: -268.396067
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -60.492
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -67.007
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: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -896.170728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.170728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.170728 (E_RNA)
where:
Base-Base interactions energy: -621.197
where: short stacking energy: -258.134
Base-Backbone interact. energy: 0.144
local terms energy: -275.117296
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -81.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -809.338452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.338452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.338452 (E_RNA)
where:
Base-Base interactions energy: -564.142
where: short stacking energy: -231.435
Base-Backbone interact. energy: -0.114
local terms energy: -245.082529
where:
bonds (distance) C4'-P energy: -42.236
bonds (distance) P-C4' energy: -55.300
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -63.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -778.167402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.167402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.167402 (E_RNA)
where:
Base-Base interactions energy: -525.547
where: short stacking energy: -226.370
Base-Backbone interact. energy: -0.244
local terms energy: -252.376062
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -50.489
flat angles P-C4'-P energy: -42.928
tors. eta vs tors. theta energy: -64.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -629.261630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.261630 (E_RNA)
where:
Base-Base interactions energy: -414.093
where: short stacking energy: -184.766
Base-Backbone interact. energy: -0.342
local terms energy: -214.826317
where:
bonds (distance) C4'-P energy: -46.225
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -49.600
flat angles P-C4'-P energy: -30.413
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -622.554063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.554063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.554063 (E_RNA)
where:
Base-Base interactions energy: -423.835
where: short stacking energy: -174.766
Base-Backbone interact. energy: 2.278
local terms energy: -200.997235
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -50.433
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -34.180
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -704.858112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.858112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.858112 (E_RNA)
where:
Base-Base interactions energy: -473.714
where: short stacking energy: -194.389
Base-Backbone interact. energy: -0.889
local terms energy: -230.254760
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -49.636
flat angles P-C4'-P energy: -35.341
tors. eta vs tors. theta energy: -60.988
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: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -221.111037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.111037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.111037 (E_RNA)
where:
Base-Base interactions energy: -83.391
where: short stacking energy: -59.302
Base-Backbone interact. energy: -0.971
local terms energy: -136.748313
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -46.051
flat angles C4'-P-C4' energy: -39.554
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: 11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -969.982087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.982087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.982087 (E_RNA)
where:
Base-Base interactions energy: -674.980
where: short stacking energy: -286.404
Base-Backbone interact. energy: -1.308
local terms energy: -293.693588
where:
bonds (distance) C4'-P energy: -54.232
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -84.609
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: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -951.229805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.229805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.229805 (E_RNA)
where:
Base-Base interactions energy: -657.922
where: short stacking energy: -270.847
Base-Backbone interact. energy: 1.134
local terms energy: -294.441950
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -59.806
flat angles C4'-P-C4' energy: -59.986
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -85.936
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: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -851.972278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.972278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.972278 (E_RNA)
where:
Base-Base interactions energy: -595.911
where: short stacking energy: -258.216
Base-Backbone interact. energy: -0.304
local terms energy: -255.757176
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -55.941
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -64.916
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -891.960052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.960052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.960052 (E_RNA)
where:
Base-Base interactions energy: -617.386
where: short stacking energy: -257.657
Base-Backbone interact. energy: -0.653
local terms energy: -273.921454
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -54.431
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -83.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -792.952874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.952874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.952874 (E_RNA)
where:
Base-Base interactions energy: -524.768
where: short stacking energy: -221.393
Base-Backbone interact. energy: -0.719
local terms energy: -267.465339
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -56.726
flat angles P-C4'-P energy: -44.560
tors. eta vs tors. theta energy: -62.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -775.370455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.370455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.370455 (E_RNA)
where:
Base-Base interactions energy: -525.512
where: short stacking energy: -228.935
Base-Backbone interact. energy: -0.527
local terms energy: -249.331568
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -61.062
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -59.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -662.707614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.707614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.707614 (E_RNA)
where:
Base-Base interactions energy: -425.200
where: short stacking energy: -205.729
Base-Backbone interact. energy: -0.340
local terms energy: -237.167141
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -47.208
flat angles C4'-P-C4' energy: -54.483
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -60.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -740.018055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.018055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.018055 (E_RNA)
where:
Base-Base interactions energy: -515.730
where: short stacking energy: -222.783
Base-Backbone interact. energy: -1.021
local terms energy: -223.267312
where:
bonds (distance) C4'-P energy: -41.859
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -63.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -616.582821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.582821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.582821 (E_RNA)
where:
Base-Base interactions energy: -406.159
where: short stacking energy: -157.440
Base-Backbone interact. energy: -2.650
local terms energy: -207.773166
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -53.322
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -230.922826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.922826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.922826 (E_RNA)
where:
Base-Base interactions energy: -93.458
where: short stacking energy: -67.453
Base-Backbone interact. energy: -0.737
local terms energy: -136.727911
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -46.906
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: 3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -952.796962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.796962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.796962 (E_RNA)
where:
Base-Base interactions energy: -656.498
where: short stacking energy: -282.205
Base-Backbone interact. energy: -1.217
local terms energy: -295.082305
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -62.780
flat angles P-C4'-P energy: -47.785
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: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -958.869000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.869000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.869000 (E_RNA)
where:
Base-Base interactions energy: -661.498
where: short stacking energy: -275.771
Base-Backbone interact. energy: -0.731
local terms energy: -296.640102
where:
bonds (distance) C4'-P energy: -55.078
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -83.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -861.108774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.108774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.108774 (E_RNA)
where:
Base-Base interactions energy: -593.642
where: short stacking energy: -243.171
Base-Backbone interact. energy: -0.099
local terms energy: -267.368313
where:
bonds (distance) C4'-P energy: -52.664
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -65.020
flat angles P-C4'-P energy: -38.983
tors. eta vs tors. theta energy: -63.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -879.141362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.141362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.141362 (E_RNA)
where:
Base-Base interactions energy: -618.024
where: short stacking energy: -251.820
Base-Backbone interact. energy: 5.556
local terms energy: -266.673146
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -53.612
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -41.744
tors. eta vs tors. theta energy: -79.132
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: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -801.489674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.489674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.489674 (E_RNA)
where:
Base-Base interactions energy: -556.843
where: short stacking energy: -227.609
Base-Backbone interact. energy: 0.854
local terms energy: -245.500593
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -53.722
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -59.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -751.564207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.564207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.564207 (E_RNA)
where:
Base-Base interactions energy: -512.958
where: short stacking energy: -215.609
Base-Backbone interact. energy: -0.880
local terms energy: -237.725658
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -49.114
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -58.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -751.797051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.797051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.797051 (E_RNA)
where:
Base-Base interactions energy: -520.608
where: short stacking energy: -224.602
Base-Backbone interact. energy: -0.980
local terms energy: -230.208323
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -50.391
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -67.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -607.294113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.294113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.294113 (E_RNA)
where:
Base-Base interactions energy: -394.353
where: short stacking energy: -182.016
Base-Backbone interact. energy: -0.695
local terms energy: -212.245401
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -48.181
flat angles C4'-P-C4' energy: -42.317
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -48.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -626.085838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.085838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.085838 (E_RNA)
where:
Base-Base interactions energy: -431.049
where: short stacking energy: -168.917
Base-Backbone interact. energy: -2.053
local terms energy: -192.983849
where:
bonds (distance) C4'-P energy: -39.093
bonds (distance) P-C4' energy: -42.937
flat angles C4'-P-C4' energy: -50.647
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -42.944
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: 106
Temperature: 1.350000
Total energy: -248.374124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.374124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.374124 (E_RNA)
where:
Base-Base interactions energy: -116.154
where: short stacking energy: -75.131
Base-Backbone interact. energy: 2.689
local terms energy: -134.909368
where:
bonds (distance) C4'-P energy: -37.564
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -44.863
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: 7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -968.896552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.896552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.896552 (E_RNA)
where:
Base-Base interactions energy: -655.389
where: short stacking energy: -293.468
Base-Backbone interact. energy: -1.715
local terms energy: -311.791996
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -58.990
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -46.032
tors. eta vs tors. theta energy: -89.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -948.384448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.384448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.384448 (E_RNA)
where:
Base-Base interactions energy: -662.818
where: short stacking energy: -274.331
Base-Backbone interact. energy: 0.947
local terms energy: -286.512729
where:
bonds (distance) C4'-P energy: -52.475
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -59.347
flat angles P-C4'-P energy: -39.851
tors. eta vs tors. theta energy: -84.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -847.826929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.826929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.826929 (E_RNA)
where:
Base-Base interactions energy: -585.439
where: short stacking energy: -249.579
Base-Backbone interact. energy: 1.084
local terms energy: -263.472376
where:
bonds (distance) C4'-P energy: -45.556
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -63.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -888.942896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.942896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.942896 (E_RNA)
where:
Base-Base interactions energy: -607.912
where: short stacking energy: -252.254
Base-Backbone interact. energy: 1.832
local terms energy: -282.862717
where:
bonds (distance) C4'-P energy: -55.576
bonds (distance) P-C4' energy: -46.900
flat angles C4'-P-C4' energy: -55.719
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -78.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -825.470515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.470515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.470515 (E_RNA)
where:
Base-Base interactions energy: -563.178
where: short stacking energy: -232.697
Base-Backbone interact. energy: -1.321
local terms energy: -260.971600
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -50.225
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -64.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -780.031983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.031983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.031983 (E_RNA)
where:
Base-Base interactions energy: -540.950
where: short stacking energy: -237.286
Base-Backbone interact. energy: -0.130
local terms energy: -238.952188
where:
bonds (distance) C4'-P energy: -47.510
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -46.609
flat angles P-C4'-P energy: -29.062
tors. eta vs tors. theta energy: -66.031
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: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -732.400585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.400585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.400585 (E_RNA)
where:
Base-Base interactions energy: -499.653
where: short stacking energy: -222.987
Base-Backbone interact. energy: 3.851
local terms energy: -236.599007
where:
bonds (distance) C4'-P energy: -49.233
bonds (distance) P-C4' energy: -42.917
flat angles C4'-P-C4' energy: -52.073
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -59.991
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: 107
Temperature: 1.250000
Total energy: -667.762726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.762726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.762726 (E_RNA)
where:
Base-Base interactions energy: -442.734
where: short stacking energy: -192.259
Base-Backbone interact. energy: -1.538
local terms energy: -223.491007
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -49.597
flat angles P-C4'-P energy: -44.319
tors. eta vs tors. theta energy: -49.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -593.241643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.241643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.241643 (E_RNA)
where:
Base-Base interactions energy: -367.145
where: short stacking energy: -165.946
Base-Backbone interact. energy: -0.229
local terms energy: -225.867302
where:
bonds (distance) C4'-P energy: -46.016
bonds (distance) P-C4' energy: -56.523
flat angles C4'-P-C4' energy: -52.165
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -45.307
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: 107
Temperature: 1.350000
Total energy: -226.147126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.147126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.147126 (E_RNA)
where:
Base-Base interactions energy: -84.492
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.933
local terms energy: -140.722207
where:
bonds (distance) C4'-P energy: -47.795
bonds (distance) P-C4' energy: -46.174
flat angles C4'-P-C4' energy: -32.110
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: 8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -973.088947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.088947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.088947 (E_RNA)
where:
Base-Base interactions energy: -672.964
where: short stacking energy: -298.807
Base-Backbone interact. energy: -1.168
local terms energy: -298.957515
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -61.691
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -93.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -938.759449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.759449 (E_RNA)
where:
Base-Base interactions energy: -650.106
where: short stacking energy: -269.251
Base-Backbone interact. energy: -0.338
local terms energy: -288.315699
where:
bonds (distance) C4'-P energy: -54.695
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -61.522
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -85.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -898.248093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.248093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.248093 (E_RNA)
where:
Base-Base interactions energy: -620.599
where: short stacking energy: -263.435
Base-Backbone interact. energy: -0.366
local terms energy: -277.283240
where:
bonds (distance) C4'-P energy: -54.797
bonds (distance) P-C4' energy: -45.112
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -78.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -835.195010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.195010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.195010 (E_RNA)
where:
Base-Base interactions energy: -571.682
where: short stacking energy: -248.356
Base-Backbone interact. energy: 0.655
local terms energy: -264.167382
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -37.672
tors. eta vs tors. theta energy: -66.976
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: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -817.952165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.952165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.952165 (E_RNA)
where:
Base-Base interactions energy: -567.183
where: short stacking energy: -233.819
Base-Backbone interact. energy: -0.221
local terms energy: -250.547279
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -49.769
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -34.168
tors. eta vs tors. theta energy: -70.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -784.124455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.124455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.124455 (E_RNA)
where:
Base-Base interactions energy: -525.511
where: short stacking energy: -232.342
Base-Backbone interact. energy: -0.875
local terms energy: -257.738692
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -50.131
flat angles C4'-P-C4' energy: -49.864
flat angles P-C4'-P energy: -43.021
tors. eta vs tors. theta energy: -66.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -723.399965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.399965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.399965 (E_RNA)
where:
Base-Base interactions energy: -491.369
where: short stacking energy: -214.713
Base-Backbone interact. energy: -0.574
local terms energy: -231.456616
where:
bonds (distance) C4'-P energy: -34.641
bonds (distance) P-C4' energy: -48.709
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -57.869
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: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -658.515740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.515740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.515740 (E_RNA)
where:
Base-Base interactions energy: -442.414
where: short stacking energy: -173.133
Base-Backbone interact. energy: 1.608
local terms energy: -217.710051
where:
bonds (distance) C4'-P energy: -38.423
bonds (distance) P-C4' energy: -41.893
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -42.194
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -580.832966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.832966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.832966 (E_RNA)
where:
Base-Base interactions energy: -386.314
where: short stacking energy: -172.101
Base-Backbone interact. energy: -0.192
local terms energy: -194.327079
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -45.844
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: 108
Temperature: 1.350000
Total energy: -246.390895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.390895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.390895 (E_RNA)
where:
Base-Base interactions energy: -116.984
where: short stacking energy: -86.413
Base-Backbone interact. energy: -1.562
local terms energy: -127.844141
where:
bonds (distance) C4'-P energy: -38.925
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -33.997
flat angles P-C4'-P energy: -17.393
tors. eta vs tors. theta energy: 4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -970.910339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.910339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.910339 (E_RNA)
where:
Base-Base interactions energy: -661.861
where: short stacking energy: -292.159
Base-Backbone interact. energy: -1.270
local terms energy: -307.779493
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -56.369
flat angles C4'-P-C4' energy: -65.940
flat angles P-C4'-P energy: -41.873
tors. eta vs tors. theta energy: -89.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -941.495431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.495431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.495431 (E_RNA)
where:
Base-Base interactions energy: -650.673
where: short stacking energy: -284.078
Base-Backbone interact. energy: -0.231
local terms energy: -290.591018
where:
bonds (distance) C4'-P energy: -48.715
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -62.679
flat angles P-C4'-P energy: -43.391
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: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -897.574761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.574761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.574761 (E_RNA)
where:
Base-Base interactions energy: -631.428
where: short stacking energy: -258.991
Base-Backbone interact. energy: 0.121
local terms energy: -266.268264
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -47.483
flat angles C4'-P-C4' energy: -61.865
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -80.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -838.867950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.867950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.867950 (E_RNA)
where:
Base-Base interactions energy: -566.108
where: short stacking energy: -234.265
Base-Backbone interact. energy: -1.254
local terms energy: -271.506376
where:
bonds (distance) C4'-P energy: -46.269
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -55.551
flat angles P-C4'-P energy: -45.442
tors. eta vs tors. theta energy: -71.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -825.153306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.153306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.153306 (E_RNA)
where:
Base-Base interactions energy: -576.921
where: short stacking energy: -243.159
Base-Backbone interact. energy: -0.956
local terms energy: -247.275381
where:
bonds (distance) C4'-P energy: -46.943
bonds (distance) P-C4' energy: -56.722
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -24.872
tors. eta vs tors. theta energy: -64.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -767.487716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.487716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.487716 (E_RNA)
where:
Base-Base interactions energy: -523.637
where: short stacking energy: -218.625
Base-Backbone interact. energy: -0.825
local terms energy: -243.025918
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -49.481
flat angles C4'-P-C4' energy: -52.178
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -66.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -719.957717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.957717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.957717 (E_RNA)
where:
Base-Base interactions energy: -485.665
where: short stacking energy: -206.540
Base-Backbone interact. energy: -1.117
local terms energy: -233.175385
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -49.022
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -58.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -661.555283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.555283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.555283 (E_RNA)
where:
Base-Base interactions energy: -445.792
where: short stacking energy: -176.870
Base-Backbone interact. energy: -1.584
local terms energy: -214.179290
where:
bonds (distance) C4'-P energy: -47.347
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -48.942
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: -36.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -569.882223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.882223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.882223 (E_RNA)
where:
Base-Base interactions energy: -366.534
where: short stacking energy: -168.664
Base-Backbone interact. energy: 0.092
local terms energy: -203.440565
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -42.596
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -43.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -220.920042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.920042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.920042 (E_RNA)
where:
Base-Base interactions energy: -84.822
where: short stacking energy: -65.729
Base-Backbone interact. energy: 0.138
local terms energy: -136.235212
where:
bonds (distance) C4'-P energy: -42.176
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: 3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -959.554005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.554005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.554005 (E_RNA)
where:
Base-Base interactions energy: -662.685
where: short stacking energy: -265.533
Base-Backbone interact. energy: -1.300
local terms energy: -295.568805
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -56.674
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -39.338
tors. eta vs tors. theta energy: -89.281
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: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -959.631943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.631943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.631943 (E_RNA)
where:
Base-Base interactions energy: -672.347
where: short stacking energy: -291.866
Base-Backbone interact. energy: -1.000
local terms energy: -286.284889
where:
bonds (distance) C4'-P energy: -48.146
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -93.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -895.171048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.171048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.171048 (E_RNA)
where:
Base-Base interactions energy: -615.291
where: short stacking energy: -259.757
Base-Backbone interact. energy: -2.663
local terms energy: -277.216899
where:
bonds (distance) C4'-P energy: -48.515
bonds (distance) P-C4' energy: -53.451
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -81.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -834.504515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.504515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.504515 (E_RNA)
where:
Base-Base interactions energy: -557.858
where: short stacking energy: -229.721
Base-Backbone interact. energy: -0.787
local terms energy: -275.859745
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -56.391
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: -66.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -799.953347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.953347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.953347 (E_RNA)
where:
Base-Base interactions energy: -559.487
where: short stacking energy: -233.800
Base-Backbone interact. energy: -0.787
local terms energy: -239.679194
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -60.988
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -757.958860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.958860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.958860 (E_RNA)
where:
Base-Base interactions energy: -527.010
where: short stacking energy: -217.233
Base-Backbone interact. energy: -0.177
local terms energy: -230.772543
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -43.004
flat angles C4'-P-C4' energy: -51.931
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -61.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -689.700141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.700141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.700141 (E_RNA)
where:
Base-Base interactions energy: -462.006
where: short stacking energy: -197.363
Base-Backbone interact. energy: -0.900
local terms energy: -226.794297
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -51.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -636.580955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.580955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.580955 (E_RNA)
where:
Base-Base interactions energy: -436.204
where: short stacking energy: -178.153
Base-Backbone interact. energy: -1.722
local terms energy: -198.655022
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -40.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -495.409984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.409984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.409984 (E_RNA)
where:
Base-Base interactions energy: -301.837
where: short stacking energy: -138.749
Base-Backbone interact. energy: 0.928
local terms energy: -194.501283
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -58.094
flat angles C4'-P-C4' energy: -39.001
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -27.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -242.845084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.845084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.845084 (E_RNA)
where:
Base-Base interactions energy: -95.458
where: short stacking energy: -87.515
Base-Backbone interact. energy: 1.142
local terms energy: -148.529915
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -46.189
flat angles C4'-P-C4' energy: -34.441
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -982.442780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.442780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.442780 (E_RNA)
where:
Base-Base interactions energy: -673.772
where: short stacking energy: -295.737
Base-Backbone interact. energy: 1.865
local terms energy: -310.535788
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -62.898
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -43.253
tors. eta vs tors. theta energy: -90.460
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: 111
Temperature: 0.950000
Total energy: -960.750565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.750565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.750565 (E_RNA)
where:
Base-Base interactions energy: -659.935
where: short stacking energy: -298.481
Base-Backbone interact. energy: -0.366
local terms energy: -300.450391
where:
bonds (distance) C4'-P energy: -55.710
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -56.991
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -86.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -902.690333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.690333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.690333 (E_RNA)
where:
Base-Base interactions energy: -632.340
where: short stacking energy: -281.902
Base-Backbone interact. energy: -1.948
local terms energy: -268.402714
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -56.656
flat angles P-C4'-P energy: -37.991
tors. eta vs tors. theta energy: -84.631
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -829.173320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.173320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.173320 (E_RNA)
where:
Base-Base interactions energy: -564.413
where: short stacking energy: -246.134
Base-Backbone interact. energy: 0.751
local terms energy: -265.511762
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -70.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -808.577853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.577853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.577853 (E_RNA)
where:
Base-Base interactions energy: -562.852
where: short stacking energy: -226.777
Base-Backbone interact. energy: 0.432
local terms energy: -246.157601
where:
bonds (distance) C4'-P energy: -46.061
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -52.028
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -61.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -771.095933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.095933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.095933 (E_RNA)
where:
Base-Base interactions energy: -513.725
where: short stacking energy: -210.711
Base-Backbone interact. energy: -0.520
local terms energy: -256.851794
where:
bonds (distance) C4'-P energy: -44.151
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -55.199
flat angles P-C4'-P energy: -38.821
tors. eta vs tors. theta energy: -57.955
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: 111
Temperature: 1.200000
Total energy: -714.194990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.194990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.194990 (E_RNA)
where:
Base-Base interactions energy: -485.630
where: short stacking energy: -209.456
Base-Backbone interact. energy: -1.242
local terms energy: -227.322770
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -53.274
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -46.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -659.830332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.830332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.830332 (E_RNA)
where:
Base-Base interactions energy: -444.818
where: short stacking energy: -183.452
Base-Backbone interact. energy: -1.749
local terms energy: -213.263602
where:
bonds (distance) C4'-P energy: -40.792
bonds (distance) P-C4' energy: -49.645
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -50.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -496.293960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.293960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.293960 (E_RNA)
where:
Base-Base interactions energy: -300.753
where: short stacking energy: -141.232
Base-Backbone interact. energy: -0.662
local terms energy: -194.879170
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -29.195
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: 111
Temperature: 1.350000
Total energy: -236.879006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.879006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.879006 (E_RNA)
where:
Base-Base interactions energy: -83.035
where: short stacking energy: -65.950
Base-Backbone interact. energy: 0.267
local terms energy: -154.111514
where:
bonds (distance) C4'-P energy: -34.964
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -44.006
flat angles P-C4'-P energy: -31.939
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -971.374004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.374004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.374004 (E_RNA)
where:
Base-Base interactions energy: -662.976
where: short stacking energy: -282.824
Base-Backbone interact. energy: -1.009
local terms energy: -307.388591
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -54.714
flat angles C4'-P-C4' energy: -65.470
flat angles P-C4'-P energy: -47.083
tors. eta vs tors. theta energy: -90.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -941.526211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.526211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.526211 (E_RNA)
where:
Base-Base interactions energy: -648.145
where: short stacking energy: -271.355
Base-Backbone interact. energy: -0.776
local terms energy: -292.604589
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -52.155
flat angles C4'-P-C4' energy: -61.053
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -88.459
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -898.541739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.541739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.541739 (E_RNA)
where:
Base-Base interactions energy: -629.662
where: short stacking energy: -272.054
Base-Backbone interact. energy: -0.421
local terms energy: -268.459394
where:
bonds (distance) C4'-P energy: -46.347
bonds (distance) P-C4' energy: -55.202
flat angles C4'-P-C4' energy: -53.917
flat angles P-C4'-P energy: -30.629
tors. eta vs tors. theta energy: -82.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -865.666974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.666974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.666974 (E_RNA)
where:
Base-Base interactions energy: -602.830
where: short stacking energy: -262.971
Base-Backbone interact. energy: 4.339
local terms energy: -267.176370
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -52.746
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -76.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -837.014867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.014867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.014867 (E_RNA)
where:
Base-Base interactions energy: -580.413
where: short stacking energy: -240.723
Base-Backbone interact. energy: 1.989
local terms energy: -258.591718
where:
bonds (distance) C4'-P energy: -51.062
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -66.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -791.686330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.686330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.686330 (E_RNA)
where:
Base-Base interactions energy: -533.265
where: short stacking energy: -217.271
Base-Backbone interact. energy: -2.548
local terms energy: -255.874133
where:
bonds (distance) C4'-P energy: -51.674
bonds (distance) P-C4' energy: -45.928
flat angles C4'-P-C4' energy: -61.976
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -60.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -751.395105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.395105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.395105 (E_RNA)
where:
Base-Base interactions energy: -525.512
where: short stacking energy: -236.603
Base-Backbone interact. energy: 1.199
local terms energy: -227.081890
where:
bonds (distance) C4'-P energy: -39.957
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -56.598
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: -60.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -682.242846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.242846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.242846 (E_RNA)
where:
Base-Base interactions energy: -476.907
where: short stacking energy: -185.559
Base-Backbone interact. energy: -2.167
local terms energy: -203.169005
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -48.998
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: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -515.124245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.124245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.124245 (E_RNA)
where:
Base-Base interactions energy: -317.301
where: short stacking energy: -150.087
Base-Backbone interact. energy: -0.820
local terms energy: -197.003657
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -53.456
flat angles C4'-P-C4' energy: -49.212
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -223.190572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.190572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.190572 (E_RNA)
where:
Base-Base interactions energy: -66.138
where: short stacking energy: -60.956
Base-Backbone interact. energy: -2.404
local terms energy: -154.648277
where:
bonds (distance) C4'-P energy: -41.764
bonds (distance) P-C4' energy: -47.207
flat angles C4'-P-C4' energy: -40.777
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -970.316115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.316115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.316115 (E_RNA)
where:
Base-Base interactions energy: -674.827
where: short stacking energy: -283.056
Base-Backbone interact. energy: -0.770
local terms energy: -294.718299
where:
bonds (distance) C4'-P energy: -45.923
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -87.469
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: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -985.961032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.961032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.961032 (E_RNA)
where:
Base-Base interactions energy: -669.802
where: short stacking energy: -287.749
Base-Backbone interact. energy: -0.775
local terms energy: -315.384662
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -66.160
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -92.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -904.114758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.114758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.114758 (E_RNA)
where:
Base-Base interactions energy: -618.043
where: short stacking energy: -269.768
Base-Backbone interact. energy: 1.242
local terms energy: -287.313190
where:
bonds (distance) C4'-P energy: -53.980
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -54.668
flat angles P-C4'-P energy: -40.294
tors. eta vs tors. theta energy: -80.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -838.248923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.248923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.248923 (E_RNA)
where:
Base-Base interactions energy: -577.339
where: short stacking energy: -244.683
Base-Backbone interact. energy: 0.012
local terms energy: -260.921228
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -42.459
flat angles C4'-P-C4' energy: -59.593
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -68.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -858.886398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.886398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.886398 (E_RNA)
where:
Base-Base interactions energy: -589.907
where: short stacking energy: -261.623
Base-Backbone interact. energy: -2.287
local terms energy: -266.691781
where:
bonds (distance) C4'-P energy: -45.770
bonds (distance) P-C4' energy: -54.674
flat angles C4'-P-C4' energy: -61.027
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -71.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -738.506821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.506821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.506821 (E_RNA)
where:
Base-Base interactions energy: -480.519
where: short stacking energy: -191.212
Base-Backbone interact. energy: -0.479
local terms energy: -257.507896
where:
bonds (distance) C4'-P energy: -62.345
bonds (distance) P-C4' energy: -44.295
flat angles C4'-P-C4' energy: -56.383
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -54.569
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: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -765.698102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.698102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.698102 (E_RNA)
where:
Base-Base interactions energy: -530.513
where: short stacking energy: -231.763
Base-Backbone interact. energy: -0.384
local terms energy: -234.801457
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -38.842
tors. eta vs tors. theta energy: -57.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -628.764894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.764894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.764894 (E_RNA)
where:
Base-Base interactions energy: -431.984
where: short stacking energy: -162.748
Base-Backbone interact. energy: -0.335
local terms energy: -196.445903
where:
bonds (distance) C4'-P energy: -40.881
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -550.860352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.860352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.860352 (E_RNA)
where:
Base-Base interactions energy: -350.683
where: short stacking energy: -168.401
Base-Backbone interact. energy: -0.397
local terms energy: -199.780278
where:
bonds (distance) C4'-P energy: -42.785
bonds (distance) P-C4' energy: -41.146
flat angles C4'-P-C4' energy: -46.925
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -45.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -230.332377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.332377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332377 (E_RNA)
where:
Base-Base interactions energy: -74.547
where: short stacking energy: -70.251
Base-Backbone interact. energy: 5.225
local terms energy: -161.011080
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: 2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -973.094162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.094162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.094162 (E_RNA)
where:
Base-Base interactions energy: -682.835
where: short stacking energy: -286.317
Base-Backbone interact. energy: -0.353
local terms energy: -289.906231
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -56.978
flat angles C4'-P-C4' energy: -64.181
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -89.820
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: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -946.891263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.891263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.891263 (E_RNA)
where:
Base-Base interactions energy: -653.261
where: short stacking energy: -276.439
Base-Backbone interact. energy: -1.099
local terms energy: -292.530900
where:
bonds (distance) C4'-P energy: -55.397
bonds (distance) P-C4' energy: -54.794
flat angles C4'-P-C4' energy: -61.243
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -84.270
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: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -911.716414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.716414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.716414 (E_RNA)
where:
Base-Base interactions energy: -622.583
where: short stacking energy: -282.257
Base-Backbone interact. energy: -1.037
local terms energy: -288.096065
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -45.487
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -89.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -841.482565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.482565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.482565 (E_RNA)
where:
Base-Base interactions energy: -580.224
where: short stacking energy: -242.482
Base-Backbone interact. energy: -1.128
local terms energy: -260.130459
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -49.099
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -71.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -859.687954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.687954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.687954 (E_RNA)
where:
Base-Base interactions energy: -595.394
where: short stacking energy: -245.322
Base-Backbone interact. energy: 2.474
local terms energy: -266.768001
where:
bonds (distance) C4'-P energy: -42.731
bonds (distance) P-C4' energy: -50.130
flat angles C4'-P-C4' energy: -63.461
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -71.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -772.470232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.470232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.470232 (E_RNA)
where:
Base-Base interactions energy: -525.343
where: short stacking energy: -217.468
Base-Backbone interact. energy: -0.401
local terms energy: -246.726369
where:
bonds (distance) C4'-P energy: -49.261
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -50.530
flat angles P-C4'-P energy: -31.013
tors. eta vs tors. theta energy: -67.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -724.919910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.919910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.919910 (E_RNA)
where:
Base-Base interactions energy: -496.780
where: short stacking energy: -208.348
Base-Backbone interact. energy: 0.091
local terms energy: -228.230284
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -46.127
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: -56.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -650.502859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.502859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.502859 (E_RNA)
where:
Base-Base interactions energy: -436.660
where: short stacking energy: -180.044
Base-Backbone interact. energy: -0.757
local terms energy: -213.086189
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -41.253
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -36.767
tors. eta vs tors. theta energy: -38.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -574.122454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.122454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.122454 (E_RNA)
where:
Base-Base interactions energy: -367.985
where: short stacking energy: -177.961
Base-Backbone interact. energy: -1.330
local terms energy: -204.808055
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -42.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -217.666570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.666570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.666570 (E_RNA)
where:
Base-Base interactions energy: -75.273
where: short stacking energy: -42.611
Base-Backbone interact. energy: 0.027
local terms energy: -142.420695
where:
bonds (distance) C4'-P energy: -47.498
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -43.852
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: 13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -971.095219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.095219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.095219 (E_RNA)
where:
Base-Base interactions energy: -665.429
where: short stacking energy: -290.798
Base-Backbone interact. energy: -0.993
local terms energy: -304.673071
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -60.155
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -94.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -949.379721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.379721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.379721 (E_RNA)
where:
Base-Base interactions energy: -663.203
where: short stacking energy: -280.137
Base-Backbone interact. energy: -0.175
local terms energy: -286.001990
where:
bonds (distance) C4'-P energy: -42.001
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -88.691
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: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -902.221929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.221929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.221929 (E_RNA)
where:
Base-Base interactions energy: -633.773
where: short stacking energy: -272.714
Base-Backbone interact. energy: -0.869
local terms energy: -267.579772
where:
bonds (distance) C4'-P energy: -50.343
bonds (distance) P-C4' energy: -52.774
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -33.152
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: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -843.198543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.198543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.198543 (E_RNA)
where:
Base-Base interactions energy: -581.641
where: short stacking energy: -239.495
Base-Backbone interact. energy: 3.402
local terms energy: -264.959781
where:
bonds (distance) C4'-P energy: -45.433
bonds (distance) P-C4' energy: -58.212
flat angles C4'-P-C4' energy: -53.540
flat angles P-C4'-P energy: -35.834
tors. eta vs tors. theta energy: -71.941
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: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -836.382045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.382045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.382045 (E_RNA)
where:
Base-Base interactions energy: -587.873
where: short stacking energy: -242.401
Base-Backbone interact. energy: -0.190
local terms energy: -248.319581
where:
bonds (distance) C4'-P energy: -39.232
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -61.446
flat angles P-C4'-P energy: -34.901
tors. eta vs tors. theta energy: -62.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -771.897852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.897852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.897852 (E_RNA)
where:
Base-Base interactions energy: -529.037
where: short stacking energy: -230.807
Base-Backbone interact. energy: -2.553
local terms energy: -240.307921
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -34.058
tors. eta vs tors. theta energy: -61.247
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: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -725.431162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.431162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.431162 (E_RNA)
where:
Base-Base interactions energy: -497.751
where: short stacking energy: -216.618
Base-Backbone interact. energy: 0.665
local terms energy: -228.344927
where:
bonds (distance) C4'-P energy: -54.026
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -52.052
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -50.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -633.195009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.195009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.195009 (E_RNA)
where:
Base-Base interactions energy: -432.169
where: short stacking energy: -173.877
Base-Backbone interact. energy: -1.020
local terms energy: -200.005911
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -37.647
flat angles C4'-P-C4' energy: -40.890
flat angles P-C4'-P energy: -27.818
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: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -540.406442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.406442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.406442 (E_RNA)
where:
Base-Base interactions energy: -340.226
where: short stacking energy: -147.883
Base-Backbone interact. energy: -0.512
local terms energy: -199.668284
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -26.593
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: 115
Temperature: 1.350000
Total energy: -216.002261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.002261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.002261 (E_RNA)
where:
Base-Base interactions energy: -98.535
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.507
local terms energy: -116.960710
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -26.973
tors. eta vs tors. theta energy: 12.095
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: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -976.529358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.529358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.529358 (E_RNA)
where:
Base-Base interactions energy: -681.235
where: short stacking energy: -303.592
Base-Backbone interact. energy: 1.913
local terms energy: -297.207253
where:
bonds (distance) C4'-P energy: -50.066
bonds (distance) P-C4' energy: -44.460
flat angles C4'-P-C4' energy: -63.470
flat angles P-C4'-P energy: -45.325
tors. eta vs tors. theta energy: -93.887
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -961.636104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.636104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.636104 (E_RNA)
where:
Base-Base interactions energy: -667.845
where: short stacking energy: -282.197
Base-Backbone interact. energy: -0.473
local terms energy: -293.318414
where:
bonds (distance) C4'-P energy: -48.359
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -60.960
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -89.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -933.415954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.415954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.415954 (E_RNA)
where:
Base-Base interactions energy: -643.030
where: short stacking energy: -270.611
Base-Backbone interact. energy: -0.395
local terms energy: -289.991319
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -53.657
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -85.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -842.936079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.936079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.936079 (E_RNA)
where:
Base-Base interactions energy: -567.381
where: short stacking energy: -239.229
Base-Backbone interact. energy: -0.733
local terms energy: -274.821248
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -56.102
flat angles C4'-P-C4' energy: -57.684
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: -70.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -822.309689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.309689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.309689 (E_RNA)
where:
Base-Base interactions energy: -564.196
where: short stacking energy: -235.681
Base-Backbone interact. energy: -0.661
local terms energy: -257.452993
where:
bonds (distance) C4'-P energy: -45.307
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -69.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -781.530612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.530612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.530612 (E_RNA)
where:
Base-Base interactions energy: -535.225
where: short stacking energy: -232.147
Base-Backbone interact. energy: 1.388
local terms energy: -247.693567
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -30.857
tors. eta vs tors. theta energy: -68.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -712.459514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.459514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.459514 (E_RNA)
where:
Base-Base interactions energy: -481.528
where: short stacking energy: -202.487
Base-Backbone interact. energy: -0.679
local terms energy: -230.253451
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -42.297
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -53.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -697.219975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.219975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.219975 (E_RNA)
where:
Base-Base interactions energy: -468.677
where: short stacking energy: -184.961
Base-Backbone interact. energy: -0.325
local terms energy: -228.218058
where:
bonds (distance) C4'-P energy: -34.361
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -51.005
flat angles P-C4'-P energy: -41.385
tors. eta vs tors. theta energy: -50.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -530.701638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.701638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.701638 (E_RNA)
where:
Base-Base interactions energy: -316.690
where: short stacking energy: -142.300
Base-Backbone interact. energy: -0.081
local terms energy: -213.930571
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -45.692
flat angles C4'-P-C4' energy: -60.025
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -36.112
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: 116
Temperature: 1.350000
Total energy: -254.553479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.553479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.553479 (E_RNA)
where:
Base-Base interactions energy: -91.236
where: short stacking energy: -68.341
Base-Backbone interact. energy: 0.537
local terms energy: -163.854319
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -47.896
flat angles C4'-P-C4' energy: -49.355
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -969.406889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.406889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.406889 (E_RNA)
where:
Base-Base interactions energy: -672.155
where: short stacking energy: -287.026
Base-Backbone interact. energy: -0.620
local terms energy: -296.632041
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -87.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -939.606629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.606629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.606629 (E_RNA)
where:
Base-Base interactions energy: -650.078
where: short stacking energy: -269.335
Base-Backbone interact. energy: 1.015
local terms energy: -290.544231
where:
bonds (distance) C4'-P energy: -46.251
bonds (distance) P-C4' energy: -50.046
flat angles C4'-P-C4' energy: -66.302
flat angles P-C4'-P energy: -44.070
tors. eta vs tors. theta energy: -83.876
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: 117
Temperature: 1.000000
Total energy: -938.678534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.678534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.678534 (E_RNA)
where:
Base-Base interactions energy: -634.768
where: short stacking energy: -269.901
Base-Backbone interact. energy: -0.028
local terms energy: -303.882966
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -56.248
flat angles C4'-P-C4' energy: -59.444
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: -86.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -845.683428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.683428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.683428 (E_RNA)
where:
Base-Base interactions energy: -585.100
where: short stacking energy: -242.616
Base-Backbone interact. energy: 0.884
local terms energy: -261.467164
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -49.510
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -75.507
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: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -838.662051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.662051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.662051 (E_RNA)
where:
Base-Base interactions energy: -579.495
where: short stacking energy: -247.050
Base-Backbone interact. energy: -1.599
local terms energy: -257.568376
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -51.526
flat angles C4'-P-C4' energy: -53.275
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -80.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -787.316679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.316679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.316679 (E_RNA)
where:
Base-Base interactions energy: -540.146
where: short stacking energy: -228.929
Base-Backbone interact. energy: -1.801
local terms energy: -245.369663
where:
bonds (distance) C4'-P energy: -41.348
bonds (distance) P-C4' energy: -50.856
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -65.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -738.017135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.017135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.017135 (E_RNA)
where:
Base-Base interactions energy: -512.546
where: short stacking energy: -220.483
Base-Backbone interact. energy: -0.373
local terms energy: -225.097371
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -48.357
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -54.481
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: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -713.762548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.762548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.762548 (E_RNA)
where:
Base-Base interactions energy: -491.595
where: short stacking energy: -199.220
Base-Backbone interact. energy: 1.597
local terms energy: -223.764164
where:
bonds (distance) C4'-P energy: -39.889
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -53.331
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -49.189
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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -568.880759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.880759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.880759 (E_RNA)
where:
Base-Base interactions energy: -365.967
where: short stacking energy: -153.916
Base-Backbone interact. energy: -1.391
local terms energy: -201.521881
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -44.200
flat angles C4'-P-C4' energy: -44.910
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -40.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -228.869400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.869400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.869400 (E_RNA)
where:
Base-Base interactions energy: -76.340
where: short stacking energy: -70.422
Base-Backbone interact. energy: 0.242
local terms energy: -152.771384
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -966.852613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.852613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.852613 (E_RNA)
where:
Base-Base interactions energy: -665.987
where: short stacking energy: -287.522
Base-Backbone interact. energy: -1.781
local terms energy: -299.084097
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -65.616
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -91.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -935.870586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.870586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.870586 (E_RNA)
where:
Base-Base interactions energy: -640.293
where: short stacking energy: -288.581
Base-Backbone interact. energy: -0.598
local terms energy: -294.979376
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -56.641
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -89.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -932.793372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.793372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.793372 (E_RNA)
where:
Base-Base interactions energy: -638.454
where: short stacking energy: -287.216
Base-Backbone interact. energy: 2.360
local terms energy: -296.699014
where:
bonds (distance) C4'-P energy: -57.123
bonds (distance) P-C4' energy: -59.136
flat angles C4'-P-C4' energy: -56.585
flat angles P-C4'-P energy: -35.214
tors. eta vs tors. theta energy: -88.641
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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -846.320459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.320459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.320459 (E_RNA)
where:
Base-Base interactions energy: -563.397
where: short stacking energy: -238.071
Base-Backbone interact. energy: -0.434
local terms energy: -282.489497
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -55.376
flat angles C4'-P-C4' energy: -56.518
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -73.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -811.431726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.431726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.431726 (E_RNA)
where:
Base-Base interactions energy: -557.846
where: short stacking energy: -245.388
Base-Backbone interact. energy: -2.723
local terms energy: -250.862419
where:
bonds (distance) C4'-P energy: -51.873
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -57.589
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -67.104
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: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -760.211193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.211193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.211193 (E_RNA)
where:
Base-Base interactions energy: -529.590
where: short stacking energy: -220.471
Base-Backbone interact. energy: 1.118
local terms energy: -231.739495
where:
bonds (distance) C4'-P energy: -39.380
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -60.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -729.375259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.375259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.375259 (E_RNA)
where:
Base-Base interactions energy: -506.839
where: short stacking energy: -213.784
Base-Backbone interact. energy: 0.600
local terms energy: -223.136242
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -52.851
flat angles C4'-P-C4' energy: -52.233
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -54.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -728.899882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.899882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.899882 (E_RNA)
where:
Base-Base interactions energy: -495.069
where: short stacking energy: -217.533
Base-Backbone interact. energy: 0.821
local terms energy: -234.651860
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -61.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -570.090648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.090648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.090648 (E_RNA)
where:
Base-Base interactions energy: -361.759
where: short stacking energy: -163.683
Base-Backbone interact. energy: 1.194
local terms energy: -209.525853
where:
bonds (distance) C4'-P energy: -45.251
bonds (distance) P-C4' energy: -37.512
flat angles C4'-P-C4' energy: -52.987
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: -39.510
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: 118
Temperature: 1.350000
Total energy: -236.530130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.530130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.530130 (E_RNA)
where:
Base-Base interactions energy: -86.025
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.003
local terms energy: -150.502142
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -37.649
tors. eta vs tors. theta energy: 5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -979.666815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.666815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.666815 (E_RNA)
where:
Base-Base interactions energy: -670.529
where: short stacking energy: -283.655
Base-Backbone interact. energy: -1.845
local terms energy: -307.292176
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -56.746
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -46.441
tors. eta vs tors. theta energy: -90.945
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: 119
Temperature: 0.950000
Total energy: -943.155375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.155375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.155375 (E_RNA)
where:
Base-Base interactions energy: -634.151
where: short stacking energy: -269.007
Base-Backbone interact. energy: -1.753
local terms energy: -307.250699
where:
bonds (distance) C4'-P energy: -56.812
bonds (distance) P-C4' energy: -58.300
flat angles C4'-P-C4' energy: -63.417
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -85.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -913.868300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.868300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.868300 (E_RNA)
where:
Base-Base interactions energy: -635.303
where: short stacking energy: -258.745
Base-Backbone interact. energy: -1.112
local terms energy: -277.453576
where:
bonds (distance) C4'-P energy: -49.552
bonds (distance) P-C4' energy: -47.661
flat angles C4'-P-C4' energy: -61.244
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -85.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -852.607357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.607357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.607357 (E_RNA)
where:
Base-Base interactions energy: -589.621
where: short stacking energy: -251.113
Base-Backbone interact. energy: -0.821
local terms energy: -262.164760
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -73.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -810.392797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.392797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.392797 (E_RNA)
where:
Base-Base interactions energy: -557.569
where: short stacking energy: -242.671
Base-Backbone interact. energy: -0.213
local terms energy: -252.610568
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -55.419
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -34.680
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: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -793.240966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.240966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.240966 (E_RNA)
where:
Base-Base interactions energy: -523.104
where: short stacking energy: -201.949
Base-Backbone interact. energy: -1.151
local terms energy: -268.986009
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -53.632
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -69.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -760.856792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.856792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.856792 (E_RNA)
where:
Base-Base interactions energy: -510.655
where: short stacking energy: -214.573
Base-Backbone interact. energy: 0.197
local terms energy: -250.398479
where:
bonds (distance) C4'-P energy: -57.460
bonds (distance) P-C4' energy: -45.261
flat angles C4'-P-C4' energy: -53.573
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -64.085
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: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -710.284952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.284952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.284952 (E_RNA)
where:
Base-Base interactions energy: -496.212
where: short stacking energy: -194.900
Base-Backbone interact. energy: -2.165
local terms energy: -211.907970
where:
bonds (distance) C4'-P energy: -42.307
bonds (distance) P-C4' energy: -32.649
flat angles C4'-P-C4' energy: -49.825
flat angles P-C4'-P energy: -33.776
tors. eta vs tors. theta energy: -53.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -547.362228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.362228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.362228 (E_RNA)
where:
Base-Base interactions energy: -354.043
where: short stacking energy: -153.063
Base-Backbone interact. energy: 1.839
local terms energy: -195.157375
where:
bonds (distance) C4'-P energy: -42.254
bonds (distance) P-C4' energy: -36.217
flat angles C4'-P-C4' energy: -58.254
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -29.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -219.678557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.678557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.678557 (E_RNA)
where:
Base-Base interactions energy: -78.610
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.667
local terms energy: -140.401645
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -0.386
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -977.184171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.184171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.184171 (E_RNA)
where:
Base-Base interactions energy: -676.751
where: short stacking energy: -277.678
Base-Backbone interact. energy: 1.082
local terms energy: -301.515534
where:
bonds (distance) C4'-P energy: -52.630
bonds (distance) P-C4' energy: -62.087
flat angles C4'-P-C4' energy: -61.102
flat angles P-C4'-P energy: -39.894
tors. eta vs tors. theta energy: -85.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -963.996909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.996909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.996909 (E_RNA)
where:
Base-Base interactions energy: -667.635
where: short stacking energy: -286.268
Base-Backbone interact. energy: -0.842
local terms energy: -295.519540
where:
bonds (distance) C4'-P energy: -53.919
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -59.381
flat angles P-C4'-P energy: -38.688
tors. eta vs tors. theta energy: -91.583
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: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -842.501852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.501852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.501852 (E_RNA)
where:
Base-Base interactions energy: -580.425
where: short stacking energy: -248.078
Base-Backbone interact. energy: 0.223
local terms energy: -262.299844
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -49.792
flat angles C4'-P-C4' energy: -54.985
flat angles P-C4'-P energy: -42.746
tors. eta vs tors. theta energy: -65.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -908.857219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.857219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.857219 (E_RNA)
where:
Base-Base interactions energy: -622.104
where: short stacking energy: -271.778
Base-Backbone interact. energy: 1.531
local terms energy: -288.284556
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -51.808
flat angles C4'-P-C4' energy: -59.240
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -90.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -799.556721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.556721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.556721 (E_RNA)
where:
Base-Base interactions energy: -540.374
where: short stacking energy: -224.991
Base-Backbone interact. energy: -1.066
local terms energy: -258.116959
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -56.899
flat angles C4'-P-C4' energy: -46.767
flat angles P-C4'-P energy: -41.498
tors. eta vs tors. theta energy: -65.113
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -790.600332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.600332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.600332 (E_RNA)
where:
Base-Base interactions energy: -547.311
where: short stacking energy: -227.794
Base-Backbone interact. energy: -2.298
local terms energy: -240.991384
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -44.728
flat angles C4'-P-C4' energy: -53.045
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -59.394
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -785.145417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.145417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.145417 (E_RNA)
where:
Base-Base interactions energy: -524.780
where: short stacking energy: -227.440
Base-Backbone interact. energy: -1.032
local terms energy: -259.333684
where:
bonds (distance) C4'-P energy: -51.762
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -60.549
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -67.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -694.692766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.692766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.692766 (E_RNA)
where:
Base-Base interactions energy: -451.109
where: short stacking energy: -186.923
Base-Backbone interact. energy: -1.046
local terms energy: -242.537013
where:
bonds (distance) C4'-P energy: -45.232
bonds (distance) P-C4' energy: -47.198
flat angles C4'-P-C4' energy: -63.455
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -49.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -545.311063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.311063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.311063 (E_RNA)
where:
Base-Base interactions energy: -346.402
where: short stacking energy: -156.769
Base-Backbone interact. energy: -0.748
local terms energy: -198.161218
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -44.041
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -30.356
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: 120
Temperature: 1.350000
Total energy: -230.857925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.857925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.857925 (E_RNA)
where:
Base-Base interactions energy: -86.956
where: short stacking energy: -81.712
Base-Backbone interact. energy: 0.094
local terms energy: -143.995413
where:
bonds (distance) C4'-P energy: -50.320
bonds (distance) P-C4' energy: -37.529
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -4.411
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: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -972.462237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.462237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.462237 (E_RNA)
where:
Base-Base interactions energy: -663.743
where: short stacking energy: -289.956
Base-Backbone interact. energy: -0.430
local terms energy: -308.290046
where:
bonds (distance) C4'-P energy: -56.882
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -48.299
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: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -942.626056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.626056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.626056 (E_RNA)
where:
Base-Base interactions energy: -656.441
where: short stacking energy: -263.185
Base-Backbone interact. energy: -1.207
local terms energy: -284.978033
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -49.643
flat angles C4'-P-C4' energy: -57.174
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -83.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -872.106387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.106387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.106387 (E_RNA)
where:
Base-Base interactions energy: -590.411
where: short stacking energy: -243.618
Base-Backbone interact. energy: 2.159
local terms energy: -283.854377
where:
bonds (distance) C4'-P energy: -54.883
bonds (distance) P-C4' energy: -49.091
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -50.293
tors. eta vs tors. theta energy: -75.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -909.109028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.109028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.109028 (E_RNA)
where:
Base-Base interactions energy: -632.040
where: short stacking energy: -271.248
Base-Backbone interact. energy: -1.199
local terms energy: -275.870589
where:
bonds (distance) C4'-P energy: -44.317
bonds (distance) P-C4' energy: -53.070
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: -89.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -814.674829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.674829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.674829 (E_RNA)
where:
Base-Base interactions energy: -547.204
where: short stacking energy: -251.466
Base-Backbone interact. energy: -0.604
local terms energy: -266.867240
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -53.640
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -78.437
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: 121
Temperature: 1.150000
Total energy: -814.797562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.797562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.797562 (E_RNA)
where:
Base-Base interactions energy: -561.917
where: short stacking energy: -239.888
Base-Backbone interact. energy: -0.864
local terms energy: -252.017227
where:
bonds (distance) C4'-P energy: -38.350
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -55.800
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -78.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -779.306101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.306101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.306101 (E_RNA)
where:
Base-Base interactions energy: -533.546
where: short stacking energy: -227.133
Base-Backbone interact. energy: -1.361
local terms energy: -244.398988
where:
bonds (distance) C4'-P energy: -46.961
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: -63.438
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: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -698.359921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.359921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.359921 (E_RNA)
where:
Base-Base interactions energy: -484.825
where: short stacking energy: -187.862
Base-Backbone interact. energy: 0.902
local terms energy: -214.437299
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -44.838
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -41.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -526.314678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.314678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.314678 (E_RNA)
where:
Base-Base interactions energy: -326.772
where: short stacking energy: -151.158
Base-Backbone interact. energy: 0.087
local terms energy: -199.629779
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -43.327
flat angles C4'-P-C4' energy: -48.290
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -35.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -220.575423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.575423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.575423 (E_RNA)
where:
Base-Base interactions energy: -78.287
where: short stacking energy: -76.182
Base-Backbone interact. energy: 0.914
local terms energy: -143.202863
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: 12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -948.283527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.283527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.283527 (E_RNA)
where:
Base-Base interactions energy: -661.247
where: short stacking energy: -278.513
Base-Backbone interact. energy: -1.358
local terms energy: -285.679332
where:
bonds (distance) C4'-P energy: -51.208
bonds (distance) P-C4' energy: -58.022
flat angles C4'-P-C4' energy: -61.090
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -76.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -964.524545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.524545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.524545 (E_RNA)
where:
Base-Base interactions energy: -676.965
where: short stacking energy: -283.992
Base-Backbone interact. energy: -1.218
local terms energy: -286.341240
where:
bonds (distance) C4'-P energy: -47.927
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -90.742
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -897.436940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.436940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.436940 (E_RNA)
where:
Base-Base interactions energy: -615.178
where: short stacking energy: -244.401
Base-Backbone interact. energy: 0.258
local terms energy: -282.517291
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -38.463
tors. eta vs tors. theta energy: -77.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -910.053608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.053608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.053608 (E_RNA)
where:
Base-Base interactions energy: -626.607
where: short stacking energy: -273.532
Base-Backbone interact. energy: -0.995
local terms energy: -282.452033
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -50.210
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -41.902
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: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -830.668417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.668417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.668417 (E_RNA)
where:
Base-Base interactions energy: -567.642
where: short stacking energy: -245.972
Base-Backbone interact. energy: -0.315
local terms energy: -262.711813
where:
bonds (distance) C4'-P energy: -42.793
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -73.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -806.371688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.371688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.371688 (E_RNA)
where:
Base-Base interactions energy: -537.198
where: short stacking energy: -227.977
Base-Backbone interact. energy: 1.791
local terms energy: -270.964988
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -54.056
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -69.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -758.852341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.852341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.852341 (E_RNA)
where:
Base-Base interactions energy: -533.338
where: short stacking energy: -209.016
Base-Backbone interact. energy: -0.704
local terms energy: -224.810577
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -52.189
flat angles C4'-P-C4' energy: -55.015
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -57.249
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: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -703.879449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.879449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.879449 (E_RNA)
where:
Base-Base interactions energy: -475.995
where: short stacking energy: -193.896
Base-Backbone interact. energy: -1.508
local terms energy: -226.375920
where:
bonds (distance) C4'-P energy: -45.868
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -46.747
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -47.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -514.643964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.643964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.643964 (E_RNA)
where:
Base-Base interactions energy: -317.923
where: short stacking energy: -141.769
Base-Backbone interact. energy: -0.271
local terms energy: -196.449720
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -34.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -220.469574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.469574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.469574 (E_RNA)
where:
Base-Base interactions energy: -62.863
where: short stacking energy: -42.758
Base-Backbone interact. energy: -0.043
local terms energy: -157.562912
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: 12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -962.072135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.072135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.072135 (E_RNA)
where:
Base-Base interactions energy: -659.681
where: short stacking energy: -276.409
Base-Backbone interact. energy: 0.955
local terms energy: -303.345879
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -54.868
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -93.199
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: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -957.606110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.606110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.606110 (E_RNA)
where:
Base-Base interactions energy: -662.207
where: short stacking energy: -288.790
Base-Backbone interact. energy: -1.571
local terms energy: -293.828857
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -49.549
flat angles C4'-P-C4' energy: -55.567
flat angles P-C4'-P energy: -41.675
tors. eta vs tors. theta energy: -92.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -882.153516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.153516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.153516 (E_RNA)
where:
Base-Base interactions energy: -607.184
where: short stacking energy: -253.383
Base-Backbone interact. energy: 0.567
local terms energy: -275.536268
where:
bonds (distance) C4'-P energy: -57.488
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -73.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -898.875629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.875629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.875629 (E_RNA)
where:
Base-Base interactions energy: -622.957
where: short stacking energy: -259.636
Base-Backbone interact. energy: 0.578
local terms energy: -276.496718
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -53.136
flat angles C4'-P-C4' energy: -60.130
flat angles P-C4'-P energy: -36.847
tors. eta vs tors. theta energy: -83.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -834.232254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.232254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.232254 (E_RNA)
where:
Base-Base interactions energy: -571.177
where: short stacking energy: -250.991
Base-Backbone interact. energy: -0.896
local terms energy: -262.159890
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -55.716
flat angles C4'-P-C4' energy: -56.088
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -74.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -799.744058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.744058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.744058 (E_RNA)
where:
Base-Base interactions energy: -535.484
where: short stacking energy: -221.216
Base-Backbone interact. energy: -1.023
local terms energy: -263.236776
where:
bonds (distance) C4'-P energy: -54.079
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -49.925
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -66.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -753.757151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.757151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.757151 (E_RNA)
where:
Base-Base interactions energy: -510.575
where: short stacking energy: -213.183
Base-Backbone interact. energy: -1.789
local terms energy: -241.393192
where:
bonds (distance) C4'-P energy: -44.584
bonds (distance) P-C4' energy: -47.761
flat angles C4'-P-C4' energy: -45.907
flat angles P-C4'-P energy: -38.365
tors. eta vs tors. theta energy: -64.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -686.733379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.733379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.733379 (E_RNA)
where:
Base-Base interactions energy: -467.767
where: short stacking energy: -197.283
Base-Backbone interact. energy: -0.362
local terms energy: -218.605046
where:
bonds (distance) C4'-P energy: -34.826
bonds (distance) P-C4' energy: -41.149
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -54.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -485.830993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.830993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.830993 (E_RNA)
where:
Base-Base interactions energy: -302.355
where: short stacking energy: -157.458
Base-Backbone interact. energy: 3.257
local terms energy: -186.733303
where:
bonds (distance) C4'-P energy: -43.448
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -49.474
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -27.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -217.399601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.399601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.399601 (E_RNA)
where:
Base-Base interactions energy: -61.894
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.782
local terms energy: -154.723458
where:
bonds (distance) C4'-P energy: -47.159
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: 5.293
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -959.059091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.059091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.059091 (E_RNA)
where:
Base-Base interactions energy: -658.624
where: short stacking energy: -290.103
Base-Backbone interact. energy: -1.169
local terms energy: -299.266444
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -57.824
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -86.855
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: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -924.264580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.264580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.264580 (E_RNA)
where:
Base-Base interactions energy: -628.805
where: short stacking energy: -261.691
Base-Backbone interact. energy: -0.062
local terms energy: -295.397807
where:
bonds (distance) C4'-P energy: -54.911
bonds (distance) P-C4' energy: -60.048
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -82.470
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: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -888.019258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.019258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.019258 (E_RNA)
where:
Base-Base interactions energy: -615.098
where: short stacking energy: -266.940
Base-Backbone interact. energy: -1.231
local terms energy: -271.690778
where:
bonds (distance) C4'-P energy: -37.838
bonds (distance) P-C4' energy: -58.003
flat angles C4'-P-C4' energy: -63.617
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -74.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -900.930265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.930265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.930265 (E_RNA)
where:
Base-Base interactions energy: -621.115
where: short stacking energy: -263.016
Base-Backbone interact. energy: -0.587
local terms energy: -279.227995
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -51.789
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -87.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -833.906754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.906754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.906754 (E_RNA)
where:
Base-Base interactions energy: -562.915
where: short stacking energy: -262.123
Base-Backbone interact. energy: -0.225
local terms energy: -270.766536
where:
bonds (distance) C4'-P energy: -43.565
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -60.243
flat angles P-C4'-P energy: -39.099
tors. eta vs tors. theta energy: -76.146
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: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -773.022426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.022426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.022426 (E_RNA)
where:
Base-Base interactions energy: -534.691
where: short stacking energy: -221.971
Base-Backbone interact. energy: 0.755
local terms energy: -239.085731
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -34.661
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: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -755.499562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.499562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.499562 (E_RNA)
where:
Base-Base interactions energy: -534.363
where: short stacking energy: -230.490
Base-Backbone interact. energy: -0.249
local terms energy: -220.887479
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -51.566
flat angles C4'-P-C4' energy: -42.119
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -53.123
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: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -707.705700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.705700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.705700 (E_RNA)
where:
Base-Base interactions energy: -487.333
where: short stacking energy: -198.961
Base-Backbone interact. energy: -0.753
local terms energy: -219.619127
where:
bonds (distance) C4'-P energy: -55.743
bonds (distance) P-C4' energy: -42.928
flat angles C4'-P-C4' energy: -39.405
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -47.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -480.033259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.033259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.033259 (E_RNA)
where:
Base-Base interactions energy: -285.776
where: short stacking energy: -134.258
Base-Backbone interact. energy: -1.093
local terms energy: -193.164491
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -51.308
flat angles C4'-P-C4' energy: -40.979
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -246.277220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.277220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.277220 (E_RNA)
where:
Base-Base interactions energy: -88.933
where: short stacking energy: -86.469
Base-Backbone interact. energy: -0.960
local terms energy: -156.384700
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -37.255
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -965.787052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.787052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.787052 (E_RNA)
where:
Base-Base interactions energy: -665.730
where: short stacking energy: -287.345
Base-Backbone interact. energy: -0.726
local terms energy: -299.331713
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -55.541
flat angles C4'-P-C4' energy: -64.388
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -86.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -911.609389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.609389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.609389 (E_RNA)
where:
Base-Base interactions energy: -627.698
where: short stacking energy: -276.698
Base-Backbone interact. energy: 1.285
local terms energy: -285.196518
where:
bonds (distance) C4'-P energy: -48.398
bonds (distance) P-C4' energy: -47.515
flat angles C4'-P-C4' energy: -61.477
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -77.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -937.224711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.224711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.224711 (E_RNA)
where:
Base-Base interactions energy: -651.776
where: short stacking energy: -284.418
Base-Backbone interact. energy: -0.615
local terms energy: -284.833207
where:
bonds (distance) C4'-P energy: -50.013
bonds (distance) P-C4' energy: -55.609
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -38.127
tors. eta vs tors. theta energy: -90.123
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -912.899274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.899274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.899274 (E_RNA)
where:
Base-Base interactions energy: -640.249
where: short stacking energy: -266.708
Base-Backbone interact. energy: -0.978
local terms energy: -271.672186
where:
bonds (distance) C4'-P energy: -46.980
bonds (distance) P-C4' energy: -49.704
flat angles C4'-P-C4' energy: -59.423
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -79.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -796.471905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.471905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.471905 (E_RNA)
where:
Base-Base interactions energy: -546.050
where: short stacking energy: -234.767
Base-Backbone interact. energy: -1.134
local terms energy: -249.287642
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -59.560
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -64.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -780.042692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.042692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.042692 (E_RNA)
where:
Base-Base interactions energy: -545.342
where: short stacking energy: -223.443
Base-Backbone interact. energy: -0.217
local terms energy: -234.483585
where:
bonds (distance) C4'-P energy: -47.475
bonds (distance) P-C4' energy: -44.607
flat angles C4'-P-C4' energy: -51.825
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -67.707
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: 125
Temperature: 1.200000
Total energy: -759.032977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.032977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.032977 (E_RNA)
where:
Base-Base interactions energy: -500.697
where: short stacking energy: -194.202
Base-Backbone interact. energy: -2.360
local terms energy: -255.975754
where:
bonds (distance) C4'-P energy: -60.170
bonds (distance) P-C4' energy: -53.332
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -36.623
tors. eta vs tors. theta energy: -58.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -702.250609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.250609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.250609 (E_RNA)
where:
Base-Base interactions energy: -480.189
where: short stacking energy: -200.597
Base-Backbone interact. energy: -0.722
local terms energy: -221.339526
where:
bonds (distance) C4'-P energy: -41.491
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -51.915
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -54.949
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: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -476.367653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.367653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.367653 (E_RNA)
where:
Base-Base interactions energy: -271.621
where: short stacking energy: -128.205
Base-Backbone interact. energy: -1.617
local terms energy: -203.129701
where:
bonds (distance) C4'-P energy: -53.054
bonds (distance) P-C4' energy: -54.079
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -23.244
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: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -237.266171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.266171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.266171 (E_RNA)
where:
Base-Base interactions energy: -73.607
where: short stacking energy: -65.124
Base-Backbone interact. energy: 0.624
local terms energy: -164.282875
where:
bonds (distance) C4'-P energy: -51.870
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: 4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -961.972689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.972689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.972689 (E_RNA)
where:
Base-Base interactions energy: -667.993
where: short stacking energy: -274.434
Base-Backbone interact. energy: -0.631
local terms energy: -293.348569
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -52.939
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -43.359
tors. eta vs tors. theta energy: -79.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -909.346946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.346946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.346946 (E_RNA)
where:
Base-Base interactions energy: -646.632
where: short stacking energy: -270.713
Base-Backbone interact. energy: -1.580
local terms energy: -261.135663
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -56.187
flat angles P-C4'-P energy: -32.218
tors. eta vs tors. theta energy: -77.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -929.483535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.483535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.483535 (E_RNA)
where:
Base-Base interactions energy: -637.217
where: short stacking energy: -271.868
Base-Backbone interact. energy: 1.758
local terms energy: -294.024406
where:
bonds (distance) C4'-P energy: -52.475
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -63.105
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -91.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -877.421358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.421358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.421358 (E_RNA)
where:
Base-Base interactions energy: -601.568
where: short stacking energy: -261.542
Base-Backbone interact. energy: -0.547
local terms energy: -275.305761
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -50.256
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -84.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -792.676899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.676899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.676899 (E_RNA)
where:
Base-Base interactions energy: -541.405
where: short stacking energy: -235.904
Base-Backbone interact. energy: -1.067
local terms energy: -250.204820
where:
bonds (distance) C4'-P energy: -41.672
bonds (distance) P-C4' energy: -52.802
flat angles C4'-P-C4' energy: -57.770
flat angles P-C4'-P energy: -30.786
tors. eta vs tors. theta energy: -67.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -798.215089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.215089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.215089 (E_RNA)
where:
Base-Base interactions energy: -553.061
where: short stacking energy: -231.406
Base-Backbone interact. energy: -1.186
local terms energy: -243.968223
where:
bonds (distance) C4'-P energy: -45.447
bonds (distance) P-C4' energy: -40.070
flat angles C4'-P-C4' energy: -52.697
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -77.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -754.887903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.887903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.887903 (E_RNA)
where:
Base-Base interactions energy: -494.518
where: short stacking energy: -214.349
Base-Backbone interact. energy: -1.214
local terms energy: -259.155365
where:
bonds (distance) C4'-P energy: -46.204
bonds (distance) P-C4' energy: -51.834
flat angles C4'-P-C4' energy: -57.363
flat angles P-C4'-P energy: -38.353
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: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -672.480882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.480882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.480882 (E_RNA)
where:
Base-Base interactions energy: -471.637
where: short stacking energy: -189.609
Base-Backbone interact. energy: -1.367
local terms energy: -199.476876
where:
bonds (distance) C4'-P energy: -42.415
bonds (distance) P-C4' energy: -43.262
flat angles C4'-P-C4' energy: -50.819
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -43.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -493.804443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.804443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.804443 (E_RNA)
where:
Base-Base interactions energy: -300.618
where: short stacking energy: -149.378
Base-Backbone interact. energy: -0.141
local terms energy: -193.045561
where:
bonds (distance) C4'-P energy: -37.384
bonds (distance) P-C4' energy: -46.296
flat angles C4'-P-C4' energy: -43.537
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -33.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -235.381651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.381651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.381651 (E_RNA)
where:
Base-Base interactions energy: -98.660
where: short stacking energy: -84.469
Base-Backbone interact. energy: 3.586
local terms energy: -140.307666
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -54.942
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -951.580242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.580242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.580242 (E_RNA)
where:
Base-Base interactions energy: -656.993
where: short stacking energy: -273.004
Base-Backbone interact. energy: 0.150
local terms energy: -294.737295
where:
bonds (distance) C4'-P energy: -49.495
bonds (distance) P-C4' energy: -58.285
flat angles C4'-P-C4' energy: -62.537
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: -88.238
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -929.322033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.322033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.322033 (E_RNA)
where:
Base-Base interactions energy: -638.144
where: short stacking energy: -271.478
Base-Backbone interact. energy: -1.744
local terms energy: -289.434232
where:
bonds (distance) C4'-P energy: -54.611
bonds (distance) P-C4' energy: -50.477
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -74.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -913.739535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.739535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.739535 (E_RNA)
where:
Base-Base interactions energy: -631.287
where: short stacking energy: -256.368
Base-Backbone interact. energy: -0.670
local terms energy: -281.782378
where:
bonds (distance) C4'-P energy: -51.266
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -39.286
tors. eta vs tors. theta energy: -84.603
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: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -898.592576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.592576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.592576 (E_RNA)
where:
Base-Base interactions energy: -615.367
where: short stacking energy: -258.552
Base-Backbone interact. energy: -1.025
local terms energy: -282.200160
where:
bonds (distance) C4'-P energy: -51.882
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -38.583
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: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -804.711174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.711174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.711174 (E_RNA)
where:
Base-Base interactions energy: -554.480
where: short stacking energy: -248.379
Base-Backbone interact. energy: -0.498
local terms energy: -249.733308
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -42.621
flat angles P-C4'-P energy: -40.085
tors. eta vs tors. theta energy: -67.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -809.375431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.375431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.375431 (E_RNA)
where:
Base-Base interactions energy: -547.141
where: short stacking energy: -234.610
Base-Backbone interact. energy: -1.307
local terms energy: -260.926877
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -49.037
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -70.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -795.763851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.763851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.763851 (E_RNA)
where:
Base-Base interactions energy: -546.275
where: short stacking energy: -237.985
Base-Backbone interact. energy: -0.661
local terms energy: -248.827271
where:
bonds (distance) C4'-P energy: -38.359
bonds (distance) P-C4' energy: -51.649
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -36.718
tors. eta vs tors. theta energy: -65.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -679.930249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.930249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.930249 (E_RNA)
where:
Base-Base interactions energy: -478.452
where: short stacking energy: -207.772
Base-Backbone interact. energy: 1.458
local terms energy: -202.936001
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -52.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -458.434839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.434839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.434839 (E_RNA)
where:
Base-Base interactions energy: -290.254
where: short stacking energy: -135.540
Base-Backbone interact. energy: -0.902
local terms energy: -167.279030
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -219.186877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186877 (E_RNA)
where:
Base-Base interactions energy: -71.914
where: short stacking energy: -52.878
Base-Backbone interact. energy: -2.176
local terms energy: -145.097575
where:
bonds (distance) C4'-P energy: -48.317
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -40.289
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: 10.358
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: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -953.089913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.089913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.089913 (E_RNA)
where:
Base-Base interactions energy: -667.017
where: short stacking energy: -290.981
Base-Backbone interact. energy: -0.963
local terms energy: -285.109747
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -58.630
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: -76.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -933.110300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.110300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.110300 (E_RNA)
where:
Base-Base interactions energy: -639.531
where: short stacking energy: -274.846
Base-Backbone interact. energy: -0.090
local terms energy: -293.489396
where:
bonds (distance) C4'-P energy: -50.245
bonds (distance) P-C4' energy: -59.598
flat angles C4'-P-C4' energy: -59.673
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: -83.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -929.315779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.315779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.315779 (E_RNA)
where:
Base-Base interactions energy: -643.767
where: short stacking energy: -268.083
Base-Backbone interact. energy: -0.216
local terms energy: -285.331986
where:
bonds (distance) C4'-P energy: -52.890
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -34.208
tors. eta vs tors. theta energy: -83.664
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -886.613739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.613739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.613739 (E_RNA)
where:
Base-Base interactions energy: -615.382
where: short stacking energy: -258.038
Base-Backbone interact. energy: -1.892
local terms energy: -269.339454
where:
bonds (distance) C4'-P energy: -44.964
bonds (distance) P-C4' energy: -47.433
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -78.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -820.288221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.288221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.288221 (E_RNA)
where:
Base-Base interactions energy: -556.268
where: short stacking energy: -249.785
Base-Backbone interact. energy: -0.182
local terms energy: -263.838173
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: -71.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -802.649339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.649339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.649339 (E_RNA)
where:
Base-Base interactions energy: -547.653
where: short stacking energy: -236.655
Base-Backbone interact. energy: 0.176
local terms energy: -255.172771
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -53.899
flat angles C4'-P-C4' energy: -47.799
flat angles P-C4'-P energy: -39.760
tors. eta vs tors. theta energy: -62.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -778.205301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.205301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.205301 (E_RNA)
where:
Base-Base interactions energy: -532.623
where: short stacking energy: -214.314
Base-Backbone interact. energy: -0.328
local terms energy: -245.254399
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -54.522
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -30.485
tors. eta vs tors. theta energy: -62.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -706.343967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.343967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.343967 (E_RNA)
where:
Base-Base interactions energy: -487.954
where: short stacking energy: -200.677
Base-Backbone interact. energy: -0.404
local terms energy: -217.986072
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -37.737
flat angles C4'-P-C4' energy: -45.959
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -51.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -514.519893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.519893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.519893 (E_RNA)
where:
Base-Base interactions energy: -319.691
where: short stacking energy: -142.966
Base-Backbone interact. energy: -0.470
local terms energy: -194.358966
where:
bonds (distance) C4'-P energy: -41.698
bonds (distance) P-C4' energy: -41.978
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -28.571
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -225.784463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.784463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.784463 (E_RNA)
where:
Base-Base interactions energy: -83.909
where: short stacking energy: -62.320
Base-Backbone interact. energy: -1.074
local terms energy: -140.801553
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: 12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -928.594933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.594933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.594933 (E_RNA)
where:
Base-Base interactions energy: -646.850
where: short stacking energy: -275.735
Base-Backbone interact. energy: -1.391
local terms energy: -280.353869
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -77.633
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: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -949.382938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.382938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.382938 (E_RNA)
where:
Base-Base interactions energy: -667.766
where: short stacking energy: -268.631
Base-Backbone interact. energy: -0.922
local terms energy: -280.694691
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -59.745
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -85.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -931.967236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.967236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.967236 (E_RNA)
where:
Base-Base interactions energy: -640.534
where: short stacking energy: -271.615
Base-Backbone interact. energy: -1.748
local terms energy: -289.685627
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -84.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -888.478759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.478759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.478759 (E_RNA)
where:
Base-Base interactions energy: -630.295
where: short stacking energy: -269.019
Base-Backbone interact. energy: 0.674
local terms energy: -258.858263
where:
bonds (distance) C4'-P energy: -44.701
bonds (distance) P-C4' energy: -43.315
flat angles C4'-P-C4' energy: -56.700
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: -80.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -805.915257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.915257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.915257 (E_RNA)
where:
Base-Base interactions energy: -556.959
where: short stacking energy: -240.987
Base-Backbone interact. energy: 0.537
local terms energy: -249.492965
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -35.033
tors. eta vs tors. theta energy: -66.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -778.599385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.599385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.599385 (E_RNA)
where:
Base-Base interactions energy: -525.257
where: short stacking energy: -204.842
Base-Backbone interact. energy: -1.136
local terms energy: -252.206562
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -50.955
flat angles C4'-P-C4' energy: -62.621
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -65.669
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -776.296858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.296858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.296858 (E_RNA)
where:
Base-Base interactions energy: -536.482
where: short stacking energy: -232.849
Base-Backbone interact. energy: -1.239
local terms energy: -238.575612
where:
bonds (distance) C4'-P energy: -45.053
bonds (distance) P-C4' energy: -45.768
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -30.600
tors. eta vs tors. theta energy: -64.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -685.642519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.642519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.642519 (E_RNA)
where:
Base-Base interactions energy: -488.228
where: short stacking energy: -207.146
Base-Backbone interact. energy: -0.249
local terms energy: -197.164983
where:
bonds (distance) C4'-P energy: -36.152
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -40.063
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: -48.114
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: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -535.538186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.538186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.538186 (E_RNA)
where:
Base-Base interactions energy: -348.867
where: short stacking energy: -163.119
Base-Backbone interact. energy: -0.483
local terms energy: -186.187709
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -39.231
flat angles C4'-P-C4' energy: -45.173
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: -33.868
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: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -231.753979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.753979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.753979 (E_RNA)
where:
Base-Base interactions energy: -70.264
where: short stacking energy: -63.229
Base-Backbone interact. energy: 0.510
local terms energy: -161.999888
where:
bonds (distance) C4'-P energy: -49.064
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -24.853
tors. eta vs tors. theta energy: 0.816
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: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -969.882128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.882128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.882128 (E_RNA)
where:
Base-Base interactions energy: -683.707
where: short stacking energy: -275.973
Base-Backbone interact. energy: 1.280
local terms energy: -287.454446
where:
bonds (distance) C4'-P energy: -61.009
bonds (distance) P-C4' energy: -51.254
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -83.815
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: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -920.504505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.504505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.504505 (E_RNA)
where:
Base-Base interactions energy: -640.334
where: short stacking energy: -272.090
Base-Backbone interact. energy: -2.715
local terms energy: -277.455349
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -59.157
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: -78.816
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: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -922.767750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.767750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.767750 (E_RNA)
where:
Base-Base interactions energy: -650.319
where: short stacking energy: -272.183
Base-Backbone interact. energy: 1.807
local terms energy: -274.255069
where:
bonds (distance) C4'-P energy: -50.612
bonds (distance) P-C4' energy: -39.843
flat angles C4'-P-C4' energy: -58.499
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -91.242
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: 130
Temperature: 1.050000
Total energy: -879.296299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.296299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.296299 (E_RNA)
where:
Base-Base interactions energy: -612.281
where: short stacking energy: -244.080
Base-Backbone interact. energy: -2.120
local terms energy: -264.895500
where:
bonds (distance) C4'-P energy: -53.305
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -54.286
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -68.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -833.539319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.539319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.539319 (E_RNA)
where:
Base-Base interactions energy: -565.677
where: short stacking energy: -240.902
Base-Backbone interact. energy: 0.567
local terms energy: -268.429769
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -60.416
flat angles P-C4'-P energy: -44.125
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: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -756.162665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.162665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.162665 (E_RNA)
where:
Base-Base interactions energy: -506.655
where: short stacking energy: -220.727
Base-Backbone interact. energy: -0.231
local terms energy: -249.276595
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -56.277
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -59.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -737.071589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.071589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.071589 (E_RNA)
where:
Base-Base interactions energy: -498.287
where: short stacking energy: -207.882
Base-Backbone interact. energy: -0.788
local terms energy: -237.996881
where:
bonds (distance) C4'-P energy: -42.066
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -52.621
flat angles P-C4'-P energy: -33.305
tors. eta vs tors. theta energy: -59.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -713.060360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.060360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.060360 (E_RNA)
where:
Base-Base interactions energy: -490.743
where: short stacking energy: -218.521
Base-Backbone interact. energy: -0.968
local terms energy: -221.349273
where:
bonds (distance) C4'-P energy: -51.721
bonds (distance) P-C4' energy: -32.944
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -63.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -554.870832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.870832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.870832 (E_RNA)
where:
Base-Base interactions energy: -334.631
where: short stacking energy: -139.671
Base-Backbone interact. energy: -0.024
local terms energy: -220.216232
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -59.884
flat angles C4'-P-C4' energy: -45.797
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -34.147
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: 130
Temperature: 1.350000
Total energy: -225.317122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.317122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.317122 (E_RNA)
where:
Base-Base interactions energy: -75.835
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.520
local terms energy: -148.961895
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -976.894425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.894425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.894425 (E_RNA)
where:
Base-Base interactions energy: -673.990
where: short stacking energy: -279.022
Base-Backbone interact. energy: 0.413
local terms energy: -303.317239
where:
bonds (distance) C4'-P energy: -58.097
bonds (distance) P-C4' energy: -51.551
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -85.452
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: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -959.919607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.919607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.919607 (E_RNA)
where:
Base-Base interactions energy: -664.048
where: short stacking energy: -286.486
Base-Backbone interact. energy: -1.555
local terms energy: -294.317422
where:
bonds (distance) C4'-P energy: -51.046
bonds (distance) P-C4' energy: -48.388
flat angles C4'-P-C4' energy: -59.154
flat angles P-C4'-P energy: -41.100
tors. eta vs tors. theta energy: -94.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -900.853094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.853094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.853094 (E_RNA)
where:
Base-Base interactions energy: -609.586
where: short stacking energy: -258.582
Base-Backbone interact. energy: -1.532
local terms energy: -289.735205
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -56.578
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -73.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -897.922748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.922748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.922748 (E_RNA)
where:
Base-Base interactions energy: -635.515
where: short stacking energy: -265.460
Base-Backbone interact. energy: 0.123
local terms energy: -262.530412
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -51.360
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -34.656
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: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -841.475382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.475382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.475382 (E_RNA)
where:
Base-Base interactions energy: -582.339
where: short stacking energy: -249.143
Base-Backbone interact. energy: -0.528
local terms energy: -258.609007
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -61.412
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -73.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -750.234028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.234028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.234028 (E_RNA)
where:
Base-Base interactions energy: -490.192
where: short stacking energy: -219.488
Base-Backbone interact. energy: -0.295
local terms energy: -259.747429
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -56.725
flat angles C4'-P-C4' energy: -52.799
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -68.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -733.180151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.180151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.180151 (E_RNA)
where:
Base-Base interactions energy: -494.256
where: short stacking energy: -223.416
Base-Backbone interact. energy: -0.037
local terms energy: -238.887061
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -50.194
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -68.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -702.702734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.702734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.702734 (E_RNA)
where:
Base-Base interactions energy: -483.319
where: short stacking energy: -201.348
Base-Backbone interact. energy: 5.860
local terms energy: -225.243021
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -43.453
flat angles C4'-P-C4' energy: -50.279
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: -49.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -569.389450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.389450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.389450 (E_RNA)
where:
Base-Base interactions energy: -364.355
where: short stacking energy: -184.594
Base-Backbone interact. energy: 0.118
local terms energy: -205.152157
where:
bonds (distance) C4'-P energy: -47.809
bonds (distance) P-C4' energy: -43.050
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -42.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -215.497011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497011 (E_RNA)
where:
Base-Base interactions energy: -64.732
where: short stacking energy: -55.532
Base-Backbone interact. energy: -0.888
local terms energy: -149.876351
where:
bonds (distance) C4'-P energy: -43.288
bonds (distance) P-C4' energy: -46.729
flat angles C4'-P-C4' energy: -43.403
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: 6.353
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: 132
Temperature: 0.900000
Total energy: -990.630399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.630399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.630399 (E_RNA)
where:
Base-Base interactions energy: -686.460
where: short stacking energy: -293.312
Base-Backbone interact. energy: -1.539
local terms energy: -302.630906
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -60.627
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -94.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -949.252213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.252213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.252213 (E_RNA)
where:
Base-Base interactions energy: -670.515
where: short stacking energy: -288.630
Base-Backbone interact. energy: -1.777
local terms energy: -276.959484
where:
bonds (distance) C4'-P energy: -47.701
bonds (distance) P-C4' energy: -48.992
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: -87.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -919.132817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.132817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.132817 (E_RNA)
where:
Base-Base interactions energy: -631.325
where: short stacking energy: -286.324
Base-Backbone interact. energy: -0.929
local terms energy: -286.878737
where:
bonds (distance) C4'-P energy: -49.195
bonds (distance) P-C4' energy: -47.081
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -42.299
tors. eta vs tors. theta energy: -89.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -913.266041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.266041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.266041 (E_RNA)
where:
Base-Base interactions energy: -623.208
where: short stacking energy: -264.220
Base-Backbone interact. energy: 0.566
local terms energy: -290.623653
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -53.861
flat angles P-C4'-P energy: -47.275
tors. eta vs tors. theta energy: -82.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -819.473402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.473402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.473402 (E_RNA)
where:
Base-Base interactions energy: -564.442
where: short stacking energy: -237.220
Base-Backbone interact. energy: -0.415
local terms energy: -254.616732
where:
bonds (distance) C4'-P energy: -54.462
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -40.864
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -67.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -754.034502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.034502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.034502 (E_RNA)
where:
Base-Base interactions energy: -516.517
where: short stacking energy: -218.240
Base-Backbone interact. energy: -2.760
local terms energy: -234.757678
where:
bonds (distance) C4'-P energy: -42.368
bonds (distance) P-C4' energy: -51.744
flat angles C4'-P-C4' energy: -50.882
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -58.729
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: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -736.805312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.805312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.805312 (E_RNA)
where:
Base-Base interactions energy: -486.227
where: short stacking energy: -206.616
Base-Backbone interact. energy: 0.343
local terms energy: -250.921064
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -58.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -709.808087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.808087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.808087 (E_RNA)
where:
Base-Base interactions energy: -485.091
where: short stacking energy: -200.622
Base-Backbone interact. energy: -1.641
local terms energy: -223.075564
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -49.136
flat angles C4'-P-C4' energy: -50.450
flat angles P-C4'-P energy: -34.034
tors. eta vs tors. theta energy: -48.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -532.459064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.459064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.459064 (E_RNA)
where:
Base-Base interactions energy: -334.898
where: short stacking energy: -145.829
Base-Backbone interact. energy: 2.279
local terms energy: -199.840030
where:
bonds (distance) C4'-P energy: -48.411
bonds (distance) P-C4' energy: -39.767
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -28.854
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: 132
Temperature: 1.350000
Total energy: -222.796285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.796285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.796285 (E_RNA)
where:
Base-Base interactions energy: -80.713
where: short stacking energy: -56.689
Base-Backbone interact. energy: -0.303
local terms energy: -141.779998
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -25.735
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -969.543138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.543138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.543138 (E_RNA)
where:
Base-Base interactions energy: -683.252
where: short stacking energy: -292.354
Base-Backbone interact. energy: -0.994
local terms energy: -285.296720
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -53.775
flat angles C4'-P-C4' energy: -57.930
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: -86.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -943.455166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.455166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.455166 (E_RNA)
where:
Base-Base interactions energy: -657.098
where: short stacking energy: -279.456
Base-Backbone interact. energy: -0.857
local terms energy: -285.500292
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -39.369
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: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -919.951825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.951825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.951825 (E_RNA)
where:
Base-Base interactions energy: -637.379
where: short stacking energy: -272.787
Base-Backbone interact. energy: -0.058
local terms energy: -282.514695
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -45.635
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -85.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -883.033465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.033465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.033465 (E_RNA)
where:
Base-Base interactions energy: -617.599
where: short stacking energy: -258.435
Base-Backbone interact. energy: -0.309
local terms energy: -265.124526
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -51.463
flat angles C4'-P-C4' energy: -58.439
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -81.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -815.500485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.500485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.500485 (E_RNA)
where:
Base-Base interactions energy: -567.010
where: short stacking energy: -236.110
Base-Backbone interact. energy: -0.467
local terms energy: -248.023211
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -56.158
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -64.688
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: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -762.181352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.181352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.181352 (E_RNA)
where:
Base-Base interactions energy: -520.387
where: short stacking energy: -211.215
Base-Backbone interact. energy: 1.335
local terms energy: -243.129231
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -57.686
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -51.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -748.622734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.622734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.622734 (E_RNA)
where:
Base-Base interactions energy: -501.681
where: short stacking energy: -214.465
Base-Backbone interact. energy: -0.621
local terms energy: -246.320285
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -59.964
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: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -733.999900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.999900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.999900 (E_RNA)
where:
Base-Base interactions energy: -494.190
where: short stacking energy: -212.776
Base-Backbone interact. energy: -0.533
local terms energy: -239.276465
where:
bonds (distance) C4'-P energy: -47.016
bonds (distance) P-C4' energy: -46.231
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -56.057
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: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -562.993659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.993659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.993659 (E_RNA)
where:
Base-Base interactions energy: -369.705
where: short stacking energy: -156.366
Base-Backbone interact. energy: -1.795
local terms energy: -191.493662
where:
bonds (distance) C4'-P energy: -41.104
bonds (distance) P-C4' energy: -42.223
flat angles C4'-P-C4' energy: -46.690
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -38.598
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: 133
Temperature: 1.350000
Total energy: -236.238650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.238650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.238650 (E_RNA)
where:
Base-Base interactions energy: -84.141
where: short stacking energy: -78.516
Base-Backbone interact. energy: -0.932
local terms energy: -151.165929
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -961.701590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.701590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.701590 (E_RNA)
where:
Base-Base interactions energy: -663.504
where: short stacking energy: -286.700
Base-Backbone interact. energy: 0.375
local terms energy: -298.572171
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -48.023
tors. eta vs tors. theta energy: -88.140
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: 134
Temperature: 0.950000
Total energy: -957.084429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.084429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.084429 (E_RNA)
where:
Base-Base interactions energy: -672.310
where: short stacking energy: -284.348
Base-Backbone interact. energy: -1.156
local terms energy: -283.617986
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -59.998
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -85.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -911.179589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.179589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.179589 (E_RNA)
where:
Base-Base interactions energy: -628.143
where: short stacking energy: -265.268
Base-Backbone interact. energy: -0.486
local terms energy: -282.549825
where:
bonds (distance) C4'-P energy: -58.236
bonds (distance) P-C4' energy: -50.764
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -81.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -850.345276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.345276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.345276 (E_RNA)
where:
Base-Base interactions energy: -590.864
where: short stacking energy: -251.321
Base-Backbone interact. energy: -0.363
local terms energy: -259.117561
where:
bonds (distance) C4'-P energy: -44.253
bonds (distance) P-C4' energy: -41.473
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -78.211
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: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -764.301436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.301436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.301436 (E_RNA)
where:
Base-Base interactions energy: -510.308
where: short stacking energy: -210.532
Base-Backbone interact. energy: -1.649
local terms energy: -252.344769
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -57.087
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -60.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -801.828432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.828432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.828432 (E_RNA)
where:
Base-Base interactions energy: -543.649
where: short stacking energy: -240.126
Base-Backbone interact. energy: -0.452
local terms energy: -257.727085
where:
bonds (distance) C4'-P energy: -46.838
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -37.459
tors. eta vs tors. theta energy: -72.816
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: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -741.299344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.299344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.299344 (E_RNA)
where:
Base-Base interactions energy: -494.210
where: short stacking energy: -208.259
Base-Backbone interact. energy: 0.614
local terms energy: -247.703483
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -56.870
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: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -726.356351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.356351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.356351 (E_RNA)
where:
Base-Base interactions energy: -509.189
where: short stacking energy: -212.631
Base-Backbone interact. energy: -0.376
local terms energy: -216.791572
where:
bonds (distance) C4'-P energy: -39.754
bonds (distance) P-C4' energy: -37.746
flat angles C4'-P-C4' energy: -56.936
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -50.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -578.702646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.702646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.702646 (E_RNA)
where:
Base-Base interactions energy: -372.550
where: short stacking energy: -168.952
Base-Backbone interact. energy: 1.602
local terms energy: -207.754675
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -56.357
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -16.622
tors. eta vs tors. theta energy: -42.032
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: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -222.209100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.209100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.209100 (E_RNA)
where:
Base-Base interactions energy: -71.870
where: short stacking energy: -63.298
Base-Backbone interact. energy: -0.368
local terms energy: -149.971373
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -48.261
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -27.862
tors. eta vs tors. theta energy: 7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -959.209163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.209163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.209163 (E_RNA)
where:
Base-Base interactions energy: -660.674
where: short stacking energy: -280.802
Base-Backbone interact. energy: 0.318
local terms energy: -298.853049
where:
bonds (distance) C4'-P energy: -68.027
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -61.146
flat angles P-C4'-P energy: -41.997
tors. eta vs tors. theta energy: -87.258
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: 135
Temperature: 0.950000
Total energy: -949.847548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.847548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.847548 (E_RNA)
where:
Base-Base interactions energy: -669.062
where: short stacking energy: -265.102
Base-Backbone interact. energy: -1.012
local terms energy: -279.773994
where:
bonds (distance) C4'-P energy: -50.013
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -37.939
tors. eta vs tors. theta energy: -83.986
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: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -928.283027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.283027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.283027 (E_RNA)
where:
Base-Base interactions energy: -643.368
where: short stacking energy: -271.804
Base-Backbone interact. energy: -0.540
local terms energy: -284.375785
where:
bonds (distance) C4'-P energy: -56.895
bonds (distance) P-C4' energy: -55.309
flat angles C4'-P-C4' energy: -54.512
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -83.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -876.591532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.591532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.591532 (E_RNA)
where:
Base-Base interactions energy: -590.461
where: short stacking energy: -256.273
Base-Backbone interact. energy: -0.889
local terms energy: -285.241685
where:
bonds (distance) C4'-P energy: -53.608
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -63.144
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -79.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -796.561138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.561138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.561138 (E_RNA)
where:
Base-Base interactions energy: -540.604
where: short stacking energy: -233.247
Base-Backbone interact. energy: -0.628
local terms energy: -255.328510
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -44.274
flat angles C4'-P-C4' energy: -56.867
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -70.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -744.233021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.233021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.233021 (E_RNA)
where:
Base-Base interactions energy: -513.950
where: short stacking energy: -207.780
Base-Backbone interact. energy: -0.700
local terms energy: -229.582785
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -49.614
flat angles C4'-P-C4' energy: -53.602
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -49.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -762.248957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.248957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.248957 (E_RNA)
where:
Base-Base interactions energy: -536.689
where: short stacking energy: -233.098
Base-Backbone interact. energy: 4.307
local terms energy: -229.867058
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -57.060
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -71.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -709.156281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.156281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.156281 (E_RNA)
where:
Base-Base interactions energy: -493.098
where: short stacking energy: -211.791
Base-Backbone interact. energy: -0.063
local terms energy: -215.995813
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -40.221
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -54.524
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: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -590.017651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.017651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.017651 (E_RNA)
where:
Base-Base interactions energy: -377.015
where: short stacking energy: -180.798
Base-Backbone interact. energy: 0.401
local terms energy: -213.403919
where:
bonds (distance) C4'-P energy: -48.926
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -45.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -231.881046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.881046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.881046 (E_RNA)
where:
Base-Base interactions energy: -76.931
where: short stacking energy: -72.471
Base-Backbone interact. energy: 6.354
local terms energy: -161.303397
where:
bonds (distance) C4'-P energy: -45.388
bonds (distance) P-C4' energy: -49.068
flat angles C4'-P-C4' energy: -42.549
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: 3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -938.577913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.577913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.577913 (E_RNA)
where:
Base-Base interactions energy: -649.833
where: short stacking energy: -280.215
Base-Backbone interact. energy: -0.512
local terms energy: -288.233206
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -57.463
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -84.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -948.519744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.519744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.519744 (E_RNA)
where:
Base-Base interactions energy: -658.558
where: short stacking energy: -277.932
Base-Backbone interact. energy: -1.016
local terms energy: -288.945398
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -57.615
flat angles P-C4'-P energy: -48.344
tors. eta vs tors. theta energy: -84.427
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: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -878.555661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.555661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.555661 (E_RNA)
where:
Base-Base interactions energy: -605.270
where: short stacking energy: -254.080
Base-Backbone interact. energy: -1.033
local terms energy: -272.252252
where:
bonds (distance) C4'-P energy: -60.111
bonds (distance) P-C4' energy: -47.424
flat angles C4'-P-C4' energy: -51.307
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -73.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -889.708565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.708565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.708565 (E_RNA)
where:
Base-Base interactions energy: -620.721
where: short stacking energy: -261.221
Base-Backbone interact. energy: -1.004
local terms energy: -267.983671
where:
bonds (distance) C4'-P energy: -48.329
bonds (distance) P-C4' energy: -46.834
flat angles C4'-P-C4' energy: -52.885
flat angles P-C4'-P energy: -38.271
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: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -797.181145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.181145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.181145 (E_RNA)
where:
Base-Base interactions energy: -556.572
where: short stacking energy: -230.108
Base-Backbone interact. energy: 0.189
local terms energy: -240.798148
where:
bonds (distance) C4'-P energy: -54.693
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -63.478
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: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -767.151725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.151725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.151725 (E_RNA)
where:
Base-Base interactions energy: -509.147
where: short stacking energy: -235.598
Base-Backbone interact. energy: 3.151
local terms energy: -261.155673
where:
bonds (distance) C4'-P energy: -47.373
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -55.774
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -70.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -771.222304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.222304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.222304 (E_RNA)
where:
Base-Base interactions energy: -520.472
where: short stacking energy: -212.915
Base-Backbone interact. energy: 1.426
local terms energy: -252.175980
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -57.558
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -51.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -692.794497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.794497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.794497 (E_RNA)
where:
Base-Base interactions energy: -477.026
where: short stacking energy: -191.160
Base-Backbone interact. energy: -2.428
local terms energy: -213.340564
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -42.251
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -40.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -566.535811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.535811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.535811 (E_RNA)
where:
Base-Base interactions energy: -336.368
where: short stacking energy: -160.767
Base-Backbone interact. energy: -0.579
local terms energy: -229.589202
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -48.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -312.464097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.464097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.464097 (E_RNA)
where:
Base-Base interactions energy: -165.801
where: short stacking energy: -97.186
Base-Backbone interact. energy: 0.773
local terms energy: -147.436210
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -35.647
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -9.844
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: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -954.200502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.200502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.200502 (E_RNA)
where:
Base-Base interactions energy: -657.112
where: short stacking energy: -284.681
Base-Backbone interact. energy: -3.366
local terms energy: -293.721996
where:
bonds (distance) C4'-P energy: -53.146
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -66.124
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -83.424
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: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -946.531641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.531641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.531641 (E_RNA)
where:
Base-Base interactions energy: -652.042
where: short stacking energy: -272.926
Base-Backbone interact. energy: -1.486
local terms energy: -293.004016
where:
bonds (distance) C4'-P energy: -55.999
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -85.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -876.698373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.698373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.698373 (E_RNA)
where:
Base-Base interactions energy: -596.355
where: short stacking energy: -257.706
Base-Backbone interact. energy: -0.310
local terms energy: -280.033886
where:
bonds (distance) C4'-P energy: -53.642
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -79.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -912.918965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.918965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.918965 (E_RNA)
where:
Base-Base interactions energy: -631.370
where: short stacking energy: -273.197
Base-Backbone interact. energy: -0.907
local terms energy: -280.642003
where:
bonds (distance) C4'-P energy: -46.758
bonds (distance) P-C4' energy: -52.184
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -38.139
tors. eta vs tors. theta energy: -86.644
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: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -818.762691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.762691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.762691 (E_RNA)
where:
Base-Base interactions energy: -567.509
where: short stacking energy: -234.944
Base-Backbone interact. energy: -0.493
local terms energy: -250.760522
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -70.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -759.506055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.506055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.506055 (E_RNA)
where:
Base-Base interactions energy: -528.355
where: short stacking energy: -200.890
Base-Backbone interact. energy: 2.222
local terms energy: -233.372666
where:
bonds (distance) C4'-P energy: -44.537
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -45.730
flat angles P-C4'-P energy: -36.568
tors. eta vs tors. theta energy: -55.933
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: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -756.090459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.090459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.090459 (E_RNA)
where:
Base-Base interactions energy: -528.427
where: short stacking energy: -218.392
Base-Backbone interact. energy: -0.576
local terms energy: -227.087553
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -47.392
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -55.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -695.938271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.938271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.938271 (E_RNA)
where:
Base-Base interactions energy: -485.699
where: short stacking energy: -209.639
Base-Backbone interact. energy: -0.400
local terms energy: -209.838694
where:
bonds (distance) C4'-P energy: -35.643
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -43.900
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -54.509
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: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -551.646576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.646576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.646576 (E_RNA)
where:
Base-Base interactions energy: -348.872
where: short stacking energy: -150.098
Base-Backbone interact. energy: -0.839
local terms energy: -201.935593
where:
bonds (distance) C4'-P energy: -41.448
bonds (distance) P-C4' energy: -57.781
flat angles C4'-P-C4' energy: -40.356
flat angles P-C4'-P energy: -27.368
tors. eta vs tors. theta energy: -34.983
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: 137
Temperature: 1.350000
Total energy: -323.102442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.102442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.102442 (E_RNA)
where:
Base-Base interactions energy: -169.675
where: short stacking energy: -82.731
Base-Backbone interact. energy: 2.069
local terms energy: -155.495934
where:
bonds (distance) C4'-P energy: -46.405
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -43.466
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -955.280449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.280449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.280449 (E_RNA)
where:
Base-Base interactions energy: -656.125
where: short stacking energy: -278.695
Base-Backbone interact. energy: -0.772
local terms energy: -298.383111
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -55.764
flat angles C4'-P-C4' energy: -61.471
flat angles P-C4'-P energy: -45.157
tors. eta vs tors. theta energy: -88.186
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: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -954.302090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.302090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.302090 (E_RNA)
where:
Base-Base interactions energy: -669.495
where: short stacking energy: -274.741
Base-Backbone interact. energy: -0.809
local terms energy: -283.997554
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -53.254
flat angles P-C4'-P energy: -40.966
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: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -898.631761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.631761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.631761 (E_RNA)
where:
Base-Base interactions energy: -629.310
where: short stacking energy: -271.152
Base-Backbone interact. energy: -1.545
local terms energy: -267.776332
where:
bonds (distance) C4'-P energy: -50.274
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -52.331
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: -75.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -891.090264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.090264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.090264 (E_RNA)
where:
Base-Base interactions energy: -621.540
where: short stacking energy: -262.617
Base-Backbone interact. energy: -0.453
local terms energy: -269.097414
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -42.310
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -35.214
tors. eta vs tors. theta energy: -77.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -806.045850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.045850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.045850 (E_RNA)
where:
Base-Base interactions energy: -555.208
where: short stacking energy: -235.308
Base-Backbone interact. energy: 1.776
local terms energy: -252.613905
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -44.389
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -31.094
tors. eta vs tors. theta energy: -77.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -782.929907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.929907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.929907 (E_RNA)
where:
Base-Base interactions energy: -524.159
where: short stacking energy: -232.943
Base-Backbone interact. energy: -0.904
local terms energy: -257.867668
where:
bonds (distance) C4'-P energy: -52.244
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -51.865
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -67.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -734.455479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.455479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.455479 (E_RNA)
where:
Base-Base interactions energy: -512.275
where: short stacking energy: -227.167
Base-Backbone interact. energy: -0.252
local terms energy: -221.928834
where:
bonds (distance) C4'-P energy: -43.325
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -45.235
flat angles P-C4'-P energy: -26.570
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: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -716.482192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.482192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.482192 (E_RNA)
where:
Base-Base interactions energy: -478.438
where: short stacking energy: -210.216
Base-Backbone interact. energy: 0.750
local terms energy: -238.794345
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -47.373
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: -58.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -528.783179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.783179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.783179 (E_RNA)
where:
Base-Base interactions energy: -336.129
where: short stacking energy: -139.578
Base-Backbone interact. energy: -0.783
local terms energy: -191.870796
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -40.709
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -31.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -300.140783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.140783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.140783 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -81.349
Base-Backbone interact. energy: -0.883
local terms energy: -156.954303
where:
bonds (distance) C4'-P energy: -36.615
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -40.735
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -7.665
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -963.702699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.702699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.702699 (E_RNA)
where:
Base-Base interactions energy: -675.641
where: short stacking energy: -284.482
Base-Backbone interact. energy: -0.883
local terms energy: -287.178422
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -88.925
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: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -959.415875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.415875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.415875 (E_RNA)
where:
Base-Base interactions energy: -661.218
where: short stacking energy: -282.200
Base-Backbone interact. energy: -0.148
local terms energy: -298.049735
where:
bonds (distance) C4'-P energy: -53.395
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -64.693
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -91.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -899.101994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.101994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.101994 (E_RNA)
where:
Base-Base interactions energy: -628.145
where: short stacking energy: -272.315
Base-Backbone interact. energy: -0.576
local terms energy: -270.380667
where:
bonds (distance) C4'-P energy: -41.250
bonds (distance) P-C4' energy: -50.901
flat angles C4'-P-C4' energy: -60.651
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -74.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -919.838341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.838341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.838341 (E_RNA)
where:
Base-Base interactions energy: -644.735
where: short stacking energy: -270.536
Base-Backbone interact. energy: -1.340
local terms energy: -273.763508
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -52.136
flat angles C4'-P-C4' energy: -55.789
flat angles P-C4'-P energy: -34.616
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: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -819.199536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.199536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.199536 (E_RNA)
where:
Base-Base interactions energy: -546.512
where: short stacking energy: -236.194
Base-Backbone interact. energy: -0.530
local terms energy: -272.158208
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -54.371
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -71.028
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: 139
Temperature: 1.150000
Total energy: -768.149141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.149141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.149141 (E_RNA)
where:
Base-Base interactions energy: -523.808
where: short stacking energy: -220.825
Base-Backbone interact. energy: 0.627
local terms energy: -244.967568
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -47.409
flat angles C4'-P-C4' energy: -49.047
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: -59.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -776.623318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.623318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.623318 (E_RNA)
where:
Base-Base interactions energy: -542.390
where: short stacking energy: -231.456
Base-Backbone interact. energy: -1.010
local terms energy: -233.223758
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -55.499
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -62.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -753.264361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.264361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.264361 (E_RNA)
where:
Base-Base interactions energy: -524.823
where: short stacking energy: -216.717
Base-Backbone interact. energy: 0.361
local terms energy: -228.802865
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -66.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -565.014324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.014324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.014324 (E_RNA)
where:
Base-Base interactions energy: -355.366
where: short stacking energy: -167.719
Base-Backbone interact. energy: -0.845
local terms energy: -208.802984
where:
bonds (distance) C4'-P energy: -44.533
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -52.730
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: -40.003
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: 139
Temperature: 1.350000
Total energy: -323.664495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.664495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.664495 (E_RNA)
where:
Base-Base interactions energy: -179.385
where: short stacking energy: -87.323
Base-Backbone interact. energy: -0.477
local terms energy: -143.801551
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -966.700064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.700064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.700064 (E_RNA)
where:
Base-Base interactions energy: -667.379
where: short stacking energy: -281.948
Base-Backbone interact. energy: 0.219
local terms energy: -299.540093
where:
bonds (distance) C4'-P energy: -52.242
bonds (distance) P-C4' energy: -54.478
flat angles C4'-P-C4' energy: -62.056
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -86.696
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: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -936.491514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.491514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.491514 (E_RNA)
where:
Base-Base interactions energy: -654.220
where: short stacking energy: -276.649
Base-Backbone interact. energy: -1.063
local terms energy: -281.208096
where:
bonds (distance) C4'-P energy: -46.575
bonds (distance) P-C4' energy: -53.506
flat angles C4'-P-C4' energy: -59.185
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: -89.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -881.003754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.003754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.003754 (E_RNA)
where:
Base-Base interactions energy: -615.467
where: short stacking energy: -257.508
Base-Backbone interact. energy: -1.103
local terms energy: -264.433461
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -50.736
flat angles P-C4'-P energy: -43.603
tors. eta vs tors. theta energy: -81.960
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: 140
Temperature: 1.050000
Total energy: -897.327792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.327792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.327792 (E_RNA)
where:
Base-Base interactions energy: -631.221
where: short stacking energy: -266.061
Base-Backbone interact. energy: -0.783
local terms energy: -265.324143
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -80.820
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: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -828.616225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.616225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.616225 (E_RNA)
where:
Base-Base interactions energy: -575.034
where: short stacking energy: -252.242
Base-Backbone interact. energy: 0.100
local terms energy: -253.681811
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -71.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -760.803065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.803065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.803065 (E_RNA)
where:
Base-Base interactions energy: -510.838
where: short stacking energy: -224.724
Base-Backbone interact. energy: -0.677
local terms energy: -249.287233
where:
bonds (distance) C4'-P energy: -42.094
bonds (distance) P-C4' energy: -57.575
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -59.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -757.854485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.854485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.854485 (E_RNA)
where:
Base-Base interactions energy: -509.680
where: short stacking energy: -216.562
Base-Backbone interact. energy: -0.558
local terms energy: -247.616897
where:
bonds (distance) C4'-P energy: -51.914
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -65.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -716.237460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.237460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.237460 (E_RNA)
where:
Base-Base interactions energy: -496.907
where: short stacking energy: -209.655
Base-Backbone interact. energy: -0.709
local terms energy: -218.621410
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -39.776
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -33.267
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: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -544.601258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.601258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.601258 (E_RNA)
where:
Base-Base interactions energy: -362.941
where: short stacking energy: -154.415
Base-Backbone interact. energy: -1.149
local terms energy: -180.511594
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -43.688
flat angles C4'-P-C4' energy: -31.609
flat angles P-C4'-P energy: -27.950
tors. eta vs tors. theta energy: -37.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -292.128693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.128693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.128693 (E_RNA)
where:
Base-Base interactions energy: -136.737
where: short stacking energy: -72.129
Base-Backbone interact. energy: -0.817
local terms energy: -154.574009
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -49.796
flat angles C4'-P-C4' energy: -38.515
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -980.032274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.032274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.032274 (E_RNA)
where:
Base-Base interactions energy: -674.486
where: short stacking energy: -290.240
Base-Backbone interact. energy: -1.141
local terms energy: -304.405960
where:
bonds (distance) C4'-P energy: -53.608
bonds (distance) P-C4' energy: -57.220
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -46.424
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: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -935.046872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.046872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.046872 (E_RNA)
where:
Base-Base interactions energy: -655.249
where: short stacking energy: -271.885
Base-Backbone interact. energy: -0.937
local terms energy: -278.861062
where:
bonds (distance) C4'-P energy: -49.798
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -58.078
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -88.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -883.654954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.654954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.654954 (E_RNA)
where:
Base-Base interactions energy: -611.047
where: short stacking energy: -237.866
Base-Backbone interact. energy: -1.637
local terms energy: -270.970811
where:
bonds (distance) C4'-P energy: -51.627
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: -65.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -891.251726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.251726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.251726 (E_RNA)
where:
Base-Base interactions energy: -626.094
where: short stacking energy: -258.934
Base-Backbone interact. energy: -0.093
local terms energy: -265.063965
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -39.366
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: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -802.697272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.697272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.697272 (E_RNA)
where:
Base-Base interactions energy: -536.250
where: short stacking energy: -238.440
Base-Backbone interact. energy: -0.491
local terms energy: -265.956858
where:
bonds (distance) C4'-P energy: -47.089
bonds (distance) P-C4' energy: -57.821
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -71.064
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: 141
Temperature: 1.150000
Total energy: -766.114557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.114557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.114557 (E_RNA)
where:
Base-Base interactions energy: -512.296
where: short stacking energy: -222.183
Base-Backbone interact. energy: -1.296
local terms energy: -252.522152
where:
bonds (distance) C4'-P energy: -50.780
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -48.526
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: -61.707
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: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -703.736934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.736934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.736934 (E_RNA)
where:
Base-Base interactions energy: -494.485
where: short stacking energy: -212.573
Base-Backbone interact. energy: 0.840
local terms energy: -210.092363
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -50.337
flat angles C4'-P-C4' energy: -49.371
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -51.412
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: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -719.394091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.394091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.394091 (E_RNA)
where:
Base-Base interactions energy: -492.828
where: short stacking energy: -210.301
Base-Backbone interact. energy: 1.653
local terms energy: -228.218777
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -50.041
flat angles C4'-P-C4' energy: -49.353
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -66.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -566.354733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.354733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.354733 (E_RNA)
where:
Base-Base interactions energy: -369.774
where: short stacking energy: -177.524
Base-Backbone interact. energy: 1.219
local terms energy: -197.799028
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -39.534
flat angles C4'-P-C4' energy: -43.526
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -355.554593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.554593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.554593 (E_RNA)
where:
Base-Base interactions energy: -207.910
where: short stacking energy: -98.616
Base-Backbone interact. energy: -1.180
local terms energy: -146.464559
where:
bonds (distance) C4'-P energy: -39.297
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -14.000
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: 142
Temperature: 0.900000
Total energy: -955.455996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.455996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.455996 (E_RNA)
where:
Base-Base interactions energy: -657.398
where: short stacking energy: -284.971
Base-Backbone interact. energy: -1.058
local terms energy: -296.999916
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -90.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -929.392334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.392334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.392334 (E_RNA)
where:
Base-Base interactions energy: -641.118
where: short stacking energy: -277.171
Base-Backbone interact. energy: -0.320
local terms energy: -287.954331
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -47.260
flat angles C4'-P-C4' energy: -61.416
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -84.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -886.772966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.772966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.772966 (E_RNA)
where:
Base-Base interactions energy: -616.720
where: short stacking energy: -258.226
Base-Backbone interact. energy: -1.149
local terms energy: -268.903457
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -43.815
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -39.561
tors. eta vs tors. theta energy: -81.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -879.395647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.395647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.395647 (E_RNA)
where:
Base-Base interactions energy: -588.743
where: short stacking energy: -256.647
Base-Backbone interact. energy: 2.948
local terms energy: -293.600698
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -53.283
flat angles C4'-P-C4' energy: -56.829
flat angles P-C4'-P energy: -46.345
tors. eta vs tors. theta energy: -83.308
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: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -815.143315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.143315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.143315 (E_RNA)
where:
Base-Base interactions energy: -562.432
where: short stacking energy: -251.865
Base-Backbone interact. energy: -0.278
local terms energy: -252.433703
where:
bonds (distance) C4'-P energy: -43.777
bonds (distance) P-C4' energy: -36.020
flat angles C4'-P-C4' energy: -53.276
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -71.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -796.121486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.121486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.121486 (E_RNA)
where:
Base-Base interactions energy: -556.361
where: short stacking energy: -230.333
Base-Backbone interact. energy: 1.200
local terms energy: -240.960537
where:
bonds (distance) C4'-P energy: -42.181
bonds (distance) P-C4' energy: -48.524
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -68.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -744.791780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.791780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.791780 (E_RNA)
where:
Base-Base interactions energy: -515.536
where: short stacking energy: -217.103
Base-Backbone interact. energy: -2.278
local terms energy: -226.978599
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -52.647
flat angles P-C4'-P energy: -28.813
tors. eta vs tors. theta energy: -58.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -681.272377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.272377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.272377 (E_RNA)
where:
Base-Base interactions energy: -455.031
where: short stacking energy: -202.117
Base-Backbone interact. energy: -1.237
local terms energy: -225.004598
where:
bonds (distance) C4'-P energy: -50.671
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -47.281
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -52.981
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: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -540.841906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.841906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.841906 (E_RNA)
where:
Base-Base interactions energy: -327.991
where: short stacking energy: -148.916
Base-Backbone interact. energy: -0.514
local terms energy: -212.336975
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -50.764
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -43.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -339.652114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.652114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.652114 (E_RNA)
where:
Base-Base interactions energy: -198.210
where: short stacking energy: -98.675
Base-Backbone interact. energy: -0.793
local terms energy: -140.649921
where:
bonds (distance) C4'-P energy: -41.075
bonds (distance) P-C4' energy: -36.223
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -34.914
tors. eta vs tors. theta energy: 4.297
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: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -957.842199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.842199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.842199 (E_RNA)
where:
Base-Base interactions energy: -654.357
where: short stacking energy: -286.977
Base-Backbone interact. energy: -1.072
local terms energy: -302.413195
where:
bonds (distance) C4'-P energy: -52.333
bonds (distance) P-C4' energy: -52.488
flat angles C4'-P-C4' energy: -62.454
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -90.787
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: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -942.144299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.144299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.144299 (E_RNA)
where:
Base-Base interactions energy: -656.832
where: short stacking energy: -277.618
Base-Backbone interact. energy: -0.750
local terms energy: -284.562051
where:
bonds (distance) C4'-P energy: -40.971
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -59.945
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -88.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -894.245897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.245897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.245897 (E_RNA)
where:
Base-Base interactions energy: -619.959
where: short stacking energy: -265.418
Base-Backbone interact. energy: -0.591
local terms energy: -273.695645
where:
bonds (distance) C4'-P energy: -47.874
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -79.735
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: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -899.407761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.407761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.407761 (E_RNA)
where:
Base-Base interactions energy: -609.327
where: short stacking energy: -256.211
Base-Backbone interact. energy: -1.196
local terms energy: -288.885101
where:
bonds (distance) C4'-P energy: -45.071
bonds (distance) P-C4' energy: -52.412
flat angles C4'-P-C4' energy: -58.778
flat angles P-C4'-P energy: -44.300
tors. eta vs tors. theta energy: -88.326
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: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -805.761879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.761879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.761879 (E_RNA)
where:
Base-Base interactions energy: -547.396
where: short stacking energy: -246.926
Base-Backbone interact. energy: -0.443
local terms energy: -257.922906
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -56.011
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -40.457
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -801.929834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.929834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.929834 (E_RNA)
where:
Base-Base interactions energy: -570.787
where: short stacking energy: -242.281
Base-Backbone interact. energy: 1.925
local terms energy: -233.067712
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -68.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -737.713164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.713164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.713164 (E_RNA)
where:
Base-Base interactions energy: -517.946
where: short stacking energy: -223.079
Base-Backbone interact. energy: 1.814
local terms energy: -221.580813
where:
bonds (distance) C4'-P energy: -51.653
bonds (distance) P-C4' energy: -39.405
flat angles C4'-P-C4' energy: -44.061
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -60.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -693.354051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.354051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.354051 (E_RNA)
where:
Base-Base interactions energy: -453.712
where: short stacking energy: -191.584
Base-Backbone interact. energy: 0.903
local terms energy: -240.545452
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -50.107
flat angles C4'-P-C4' energy: -47.493
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -53.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -546.349854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.349854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.349854 (E_RNA)
where:
Base-Base interactions energy: -338.954
where: short stacking energy: -155.656
Base-Backbone interact. energy: 0.320
local terms energy: -207.715725
where:
bonds (distance) C4'-P energy: -52.659
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -367.657385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.657385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.657385 (E_RNA)
where:
Base-Base interactions energy: -193.108
where: short stacking energy: -109.781
Base-Backbone interact. energy: -1.602
local terms energy: -172.948116
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -35.572
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -965.359753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.359753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.359753 (E_RNA)
where:
Base-Base interactions energy: -674.078
where: short stacking energy: -292.520
Base-Backbone interact. energy: -0.299
local terms energy: -290.982720
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -91.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -937.064496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.064496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.064496 (E_RNA)
where:
Base-Base interactions energy: -639.881
where: short stacking energy: -284.246
Base-Backbone interact. energy: -0.974
local terms energy: -296.210022
where:
bonds (distance) C4'-P energy: -56.196
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -58.417
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -93.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -884.140627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.140627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.140627 (E_RNA)
where:
Base-Base interactions energy: -612.706
where: short stacking energy: -264.838
Base-Backbone interact. energy: -1.465
local terms energy: -269.969557
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -44.658
flat angles C4'-P-C4' energy: -54.276
flat angles P-C4'-P energy: -39.220
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: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -869.227813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.227813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.227813 (E_RNA)
where:
Base-Base interactions energy: -604.986
where: short stacking energy: -247.891
Base-Backbone interact. energy: -1.407
local terms energy: -262.835065
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -80.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -808.169575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.169575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.169575 (E_RNA)
where:
Base-Base interactions energy: -553.373
where: short stacking energy: -245.101
Base-Backbone interact. energy: -0.139
local terms energy: -254.657557
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -39.564
flat angles C4'-P-C4' energy: -60.283
flat angles P-C4'-P energy: -39.168
tors. eta vs tors. theta energy: -69.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -797.525941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.525941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.525941 (E_RNA)
where:
Base-Base interactions energy: -558.701
where: short stacking energy: -230.787
Base-Backbone interact. energy: -0.925
local terms energy: -237.899829
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -26.888
tors. eta vs tors. theta energy: -69.651
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: 144
Temperature: 1.200000
Total energy: -742.073712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.073712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.073712 (E_RNA)
where:
Base-Base interactions energy: -518.008
where: short stacking energy: -208.946
Base-Backbone interact. energy: 0.328
local terms energy: -224.393530
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -49.787
flat angles P-C4'-P energy: -28.851
tors. eta vs tors. theta energy: -65.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -706.615211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.615211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.615211 (E_RNA)
where:
Base-Base interactions energy: -472.810
where: short stacking energy: -197.011
Base-Backbone interact. energy: -0.743
local terms energy: -233.061823
where:
bonds (distance) C4'-P energy: -48.804
bonds (distance) P-C4' energy: -49.653
flat angles C4'-P-C4' energy: -51.752
flat angles P-C4'-P energy: -32.172
tors. eta vs tors. theta energy: -50.681
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: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -567.121767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.121767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.121767 (E_RNA)
where:
Base-Base interactions energy: -350.167
where: short stacking energy: -159.543
Base-Backbone interact. energy: 1.468
local terms energy: -218.422928
where:
bonds (distance) C4'-P energy: -41.812
bonds (distance) P-C4' energy: -55.649
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -32.252
tors. eta vs tors. theta energy: -39.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -301.962894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.962894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.962894 (E_RNA)
where:
Base-Base interactions energy: -154.219
where: short stacking energy: -90.413
Base-Backbone interact. energy: 0.659
local terms energy: -148.403055
where:
bonds (distance) C4'-P energy: -42.661
bonds (distance) P-C4' energy: -54.159
flat angles C4'-P-C4' energy: -40.258
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: 6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -945.855776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.855776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.855776 (E_RNA)
where:
Base-Base interactions energy: -655.854
where: short stacking energy: -273.304
Base-Backbone interact. energy: -1.216
local terms energy: -288.785902
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -48.658
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -44.443
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: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -962.072488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.072488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.072488 (E_RNA)
where:
Base-Base interactions energy: -662.742
where: short stacking energy: -272.824
Base-Backbone interact. energy: -1.538
local terms energy: -297.791879
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -59.016
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -87.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -893.742619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.742619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.742619 (E_RNA)
where:
Base-Base interactions energy: -610.904
where: short stacking energy: -262.862
Base-Backbone interact. energy: -0.695
local terms energy: -282.143392
where:
bonds (distance) C4'-P energy: -51.478
bonds (distance) P-C4' energy: -48.035
flat angles C4'-P-C4' energy: -56.882
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -85.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -860.769439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.769439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.769439 (E_RNA)
where:
Base-Base interactions energy: -594.355
where: short stacking energy: -262.939
Base-Backbone interact. energy: -0.337
local terms energy: -266.077390
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -51.192
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: -72.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -823.923065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.923065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.923065 (E_RNA)
where:
Base-Base interactions energy: -557.683
where: short stacking energy: -237.169
Base-Backbone interact. energy: 5.980
local terms energy: -272.220159
where:
bonds (distance) C4'-P energy: -55.615
bonds (distance) P-C4' energy: -55.956
flat angles C4'-P-C4' energy: -53.596
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -69.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -772.848713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.848713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.848713 (E_RNA)
where:
Base-Base interactions energy: -529.543
where: short stacking energy: -214.002
Base-Backbone interact. energy: -0.901
local terms energy: -242.404337
where:
bonds (distance) C4'-P energy: -50.128
bonds (distance) P-C4' energy: -47.991
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -56.662
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: 145
Temperature: 1.200000
Total energy: -744.861590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.861590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.861590 (E_RNA)
where:
Base-Base interactions energy: -492.824
where: short stacking energy: -206.391
Base-Backbone interact. energy: -2.403
local terms energy: -249.634965
where:
bonds (distance) C4'-P energy: -44.396
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -36.033
tors. eta vs tors. theta energy: -59.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -663.363856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.363856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.363856 (E_RNA)
where:
Base-Base interactions energy: -456.314
where: short stacking energy: -187.164
Base-Backbone interact. energy: -0.655
local terms energy: -206.394817
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -36.171
tors. eta vs tors. theta energy: -41.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -560.416222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.416222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.416222 (E_RNA)
where:
Base-Base interactions energy: -337.560
where: short stacking energy: -165.741
Base-Backbone interact. energy: -1.034
local terms energy: -221.822428
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -46.717
flat angles C4'-P-C4' energy: -51.630
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -38.476
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: 145
Temperature: 1.350000
Total energy: -331.283921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.283921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.283921 (E_RNA)
where:
Base-Base interactions energy: -177.198
where: short stacking energy: -99.496
Base-Backbone interact. energy: -0.815
local terms energy: -153.270638
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -43.999
flat angles C4'-P-C4' energy: -39.406
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -970.101728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.101728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.101728 (E_RNA)
where:
Base-Base interactions energy: -673.898
where: short stacking energy: -291.898
Base-Backbone interact. energy: -1.671
local terms energy: -294.532683
where:
bonds (distance) C4'-P energy: -49.296
bonds (distance) P-C4' energy: -55.547
flat angles C4'-P-C4' energy: -55.235
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -87.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -952.847571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.847571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.847571 (E_RNA)
where:
Base-Base interactions energy: -651.341
where: short stacking energy: -275.246
Base-Backbone interact. energy: -2.108
local terms energy: -299.398765
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -61.462
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -90.274
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: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -889.807488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.807488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.807488 (E_RNA)
where:
Base-Base interactions energy: -620.895
where: short stacking energy: -282.005
Base-Backbone interact. energy: -1.125
local terms energy: -267.787579
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -84.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -853.223822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.223822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.223822 (E_RNA)
where:
Base-Base interactions energy: -581.540
where: short stacking energy: -255.010
Base-Backbone interact. energy: -1.572
local terms energy: -270.112029
where:
bonds (distance) C4'-P energy: -49.580
bonds (distance) P-C4' energy: -56.218
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -71.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -819.984551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984551 (E_RNA)
where:
Base-Base interactions energy: -556.448
where: short stacking energy: -239.415
Base-Backbone interact. energy: -1.882
local terms energy: -261.654402
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -60.410
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: -65.546
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: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -797.631711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.631711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.631711 (E_RNA)
where:
Base-Base interactions energy: -551.478
where: short stacking energy: -223.158
Base-Backbone interact. energy: -0.851
local terms energy: -245.303262
where:
bonds (distance) C4'-P energy: -39.469
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -57.094
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: -66.495
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: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -723.933305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.933305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.933305 (E_RNA)
where:
Base-Base interactions energy: -507.059
where: short stacking energy: -198.462
Base-Backbone interact. energy: -2.406
local terms energy: -214.468577
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -52.714
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -30.498
tors. eta vs tors. theta energy: -57.020
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: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -678.473922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.473922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.473922 (E_RNA)
where:
Base-Base interactions energy: -487.312
where: short stacking energy: -208.352
Base-Backbone interact. energy: 0.004
local terms energy: -191.166251
where:
bonds (distance) C4'-P energy: -38.044
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -41.165
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: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -508.908149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.908149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.908149 (E_RNA)
where:
Base-Base interactions energy: -300.485
where: short stacking energy: -131.969
Base-Backbone interact. energy: 0.111
local terms energy: -208.534409
where:
bonds (distance) C4'-P energy: -46.827
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -44.138
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -38.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -302.673226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.673226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.673226 (E_RNA)
where:
Base-Base interactions energy: -164.209
where: short stacking energy: -77.182
Base-Backbone interact. energy: -0.354
local terms energy: -138.110885
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -31.280
tors. eta vs tors. theta energy: 5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -946.009288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.009288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.009288 (E_RNA)
where:
Base-Base interactions energy: -656.422
where: short stacking energy: -282.315
Base-Backbone interact. energy: -0.571
local terms energy: -289.015695
where:
bonds (distance) C4'-P energy: -51.804
bonds (distance) P-C4' energy: -48.889
flat angles C4'-P-C4' energy: -63.157
flat angles P-C4'-P energy: -40.649
tors. eta vs tors. theta energy: -84.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -956.859550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.859550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.859550 (E_RNA)
where:
Base-Base interactions energy: -664.747
where: short stacking energy: -287.523
Base-Backbone interact. energy: -0.914
local terms energy: -291.198143
where:
bonds (distance) C4'-P energy: -57.515
bonds (distance) P-C4' energy: -49.911
flat angles C4'-P-C4' energy: -54.395
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -91.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -889.952111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.952111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.952111 (E_RNA)
where:
Base-Base interactions energy: -617.522
where: short stacking energy: -274.330
Base-Backbone interact. energy: -2.211
local terms energy: -270.218524
where:
bonds (distance) C4'-P energy: -42.418
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -77.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -874.312183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.312183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.312183 (E_RNA)
where:
Base-Base interactions energy: -607.423
where: short stacking energy: -261.932
Base-Backbone interact. energy: -0.959
local terms energy: -265.931075
where:
bonds (distance) C4'-P energy: -52.395
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -54.086
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -76.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -829.489318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.489318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.489318 (E_RNA)
where:
Base-Base interactions energy: -565.747
where: short stacking energy: -239.386
Base-Backbone interact. energy: 0.369
local terms energy: -264.112140
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -57.051
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -35.520
tors. eta vs tors. theta energy: -77.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -800.341057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.341057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.341057 (E_RNA)
where:
Base-Base interactions energy: -550.007
where: short stacking energy: -226.099
Base-Backbone interact. energy: -0.527
local terms energy: -249.807422
where:
bonds (distance) C4'-P energy: -39.368
bonds (distance) P-C4' energy: -46.724
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: -69.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -734.305096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.305096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.305096 (E_RNA)
where:
Base-Base interactions energy: -497.967
where: short stacking energy: -198.937
Base-Backbone interact. energy: -0.414
local terms energy: -235.923351
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -45.292
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -55.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -700.249393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.249393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.249393 (E_RNA)
where:
Base-Base interactions energy: -474.555
where: short stacking energy: -191.248
Base-Backbone interact. energy: -0.878
local terms energy: -224.816511
where:
bonds (distance) C4'-P energy: -42.636
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -51.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -459.344530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.344530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.344530 (E_RNA)
where:
Base-Base interactions energy: -274.759
where: short stacking energy: -127.597
Base-Backbone interact. energy: -2.263
local terms energy: -182.323044
where:
bonds (distance) C4'-P energy: -37.020
bonds (distance) P-C4' energy: -52.254
flat angles C4'-P-C4' energy: -50.400
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -23.749
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: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -325.625326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.625326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.625326 (E_RNA)
where:
Base-Base interactions energy: -154.654
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.386
local terms energy: -170.584784
where:
bonds (distance) C4'-P energy: -46.327
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -30.613
tors. eta vs tors. theta energy: 3.401
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -965.642555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.642555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.642555 (E_RNA)
where:
Base-Base interactions energy: -674.663
where: short stacking energy: -287.123
Base-Backbone interact. energy: 0.394
local terms energy: -291.373823
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -82.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -937.695172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.695172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.695172 (E_RNA)
where:
Base-Base interactions energy: -640.096
where: short stacking energy: -264.876
Base-Backbone interact. energy: -1.439
local terms energy: -296.160079
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -58.109
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -84.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -890.052305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.052305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.052305 (E_RNA)
where:
Base-Base interactions energy: -605.527
where: short stacking energy: -252.425
Base-Backbone interact. energy: -1.350
local terms energy: -283.175389
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -79.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -834.205154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.205154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.205154 (E_RNA)
where:
Base-Base interactions energy: -580.833
where: short stacking energy: -238.493
Base-Backbone interact. energy: -0.527
local terms energy: -252.845934
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -50.233
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -68.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -813.840137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.840137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.840137 (E_RNA)
where:
Base-Base interactions energy: -550.547
where: short stacking energy: -244.483
Base-Backbone interact. energy: -1.134
local terms energy: -262.159671
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -46.989
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -41.609
tors. eta vs tors. theta energy: -71.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -813.628008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.628008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.628008 (E_RNA)
where:
Base-Base interactions energy: -560.219
where: short stacking energy: -223.951
Base-Backbone interact. energy: -1.023
local terms energy: -252.385663
where:
bonds (distance) C4'-P energy: -45.701
bonds (distance) P-C4' energy: -54.134
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -744.008906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.008906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.008906 (E_RNA)
where:
Base-Base interactions energy: -505.064
where: short stacking energy: -212.128
Base-Backbone interact. energy: 4.886
local terms energy: -243.830814
where:
bonds (distance) C4'-P energy: -47.461
bonds (distance) P-C4' energy: -55.854
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -61.896
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: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -751.564284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.564284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.564284 (E_RNA)
where:
Base-Base interactions energy: -527.232
where: short stacking energy: -219.509
Base-Backbone interact. energy: 3.988
local terms energy: -228.320451
where:
bonds (distance) C4'-P energy: -50.976
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -50.920
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -51.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -339.116223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.116223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.116223 (E_RNA)
where:
Base-Base interactions energy: -162.927
where: short stacking energy: -92.065
Base-Backbone interact. energy: 0.895
local terms energy: -177.084315
where:
bonds (distance) C4'-P energy: -40.713
bonds (distance) P-C4' energy: -51.827
flat angles C4'-P-C4' energy: -47.981
flat angles P-C4'-P energy: -27.985
tors. eta vs tors. theta energy: -8.579
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -433.716420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.716420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.716420 (E_RNA)
where:
Base-Base interactions energy: -261.084
where: short stacking energy: -131.207
Base-Backbone interact. energy: 2.982
local terms energy: -175.613962
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -50.557
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -956.658474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.658474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.658474 (E_RNA)
where:
Base-Base interactions energy: -668.514
where: short stacking energy: -276.308
Base-Backbone interact. energy: -0.209
local terms energy: -287.934576
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -84.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -942.277129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.277129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.277129 (E_RNA)
where:
Base-Base interactions energy: -650.841
where: short stacking energy: -272.881
Base-Backbone interact. energy: -1.210
local terms energy: -290.226076
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -58.156
flat angles P-C4'-P energy: -39.547
tors. eta vs tors. theta energy: -92.393
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: 149
Temperature: 1.000000
Total energy: -896.470483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.470483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.470483 (E_RNA)
where:
Base-Base interactions energy: -632.727
where: short stacking energy: -271.653
Base-Backbone interact. energy: 3.237
local terms energy: -266.980253
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -77.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -848.597874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.597874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.597874 (E_RNA)
where:
Base-Base interactions energy: -588.674
where: short stacking energy: -227.464
Base-Backbone interact. energy: -0.999
local terms energy: -258.924697
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -70.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -820.600765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.600765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.600765 (E_RNA)
where:
Base-Base interactions energy: -570.203
where: short stacking energy: -230.704
Base-Backbone interact. energy: 0.028
local terms energy: -250.425382
where:
bonds (distance) C4'-P energy: -47.137
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -54.097
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -61.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -801.916929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.916929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.916929 (E_RNA)
where:
Base-Base interactions energy: -562.725
where: short stacking energy: -249.534
Base-Backbone interact. energy: -2.680
local terms energy: -236.512762
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -72.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -732.196575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.196575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.196575 (E_RNA)
where:
Base-Base interactions energy: -504.422
where: short stacking energy: -206.534
Base-Backbone interact. energy: -0.778
local terms energy: -226.997283
where:
bonds (distance) C4'-P energy: -47.925
bonds (distance) P-C4' energy: -47.835
flat angles C4'-P-C4' energy: -42.346
flat angles P-C4'-P energy: -32.549
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: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -741.104671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.104671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.104671 (E_RNA)
where:
Base-Base interactions energy: -505.434
where: short stacking energy: -197.031
Base-Backbone interact. energy: -1.454
local terms energy: -234.215871
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -55.239
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -64.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -341.277999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.277999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.277999 (E_RNA)
where:
Base-Base interactions energy: -183.186
where: short stacking energy: -98.232
Base-Backbone interact. energy: -0.883
local terms energy: -157.209055
where:
bonds (distance) C4'-P energy: -40.440
bonds (distance) P-C4' energy: -42.818
flat angles C4'-P-C4' energy: -42.444
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -9.267
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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -428.181421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.181421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.181421 (E_RNA)
where:
Base-Base interactions energy: -261.231
where: short stacking energy: -130.742
Base-Backbone interact. energy: 0.996
local terms energy: -167.946338
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -37.752
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -18.750
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -960.072113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.072113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.072113 (E_RNA)
where:
Base-Base interactions energy: -652.152
where: short stacking energy: -284.177
Base-Backbone interact. energy: -1.101
local terms energy: -306.818870
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -59.320
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -93.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -932.930016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.930016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.930016 (E_RNA)
where:
Base-Base interactions energy: -643.190
where: short stacking energy: -284.645
Base-Backbone interact. energy: -1.216
local terms energy: -288.523779
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: -86.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -899.843716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.843716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.843716 (E_RNA)
where:
Base-Base interactions energy: -625.190
where: short stacking energy: -265.230
Base-Backbone interact. energy: -1.674
local terms energy: -272.979011
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -42.306
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -79.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -881.821784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.821784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.821784 (E_RNA)
where:
Base-Base interactions energy: -607.738
where: short stacking energy: -261.944
Base-Backbone interact. energy: 2.911
local terms energy: -276.994824
where:
bonds (distance) C4'-P energy: -51.911
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -43.519
tors. eta vs tors. theta energy: -75.817
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: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -819.594213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.594213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.594213 (E_RNA)
where:
Base-Base interactions energy: -582.676
where: short stacking energy: -251.913
Base-Backbone interact. energy: -0.958
local terms energy: -235.959548
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -48.121
flat angles C4'-P-C4' energy: -54.126
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -68.958
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -798.537779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.537779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.537779 (E_RNA)
where:
Base-Base interactions energy: -543.131
where: short stacking energy: -226.041
Base-Backbone interact. energy: -1.043
local terms energy: -254.364523
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -49.632
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -37.018
tors. eta vs tors. theta energy: -58.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -780.400414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.400414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.400414 (E_RNA)
where:
Base-Base interactions energy: -531.980
where: short stacking energy: -220.551
Base-Backbone interact. energy: -1.045
local terms energy: -247.375114
where:
bonds (distance) C4'-P energy: -44.144
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -65.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -722.141764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.141764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.141764 (E_RNA)
where:
Base-Base interactions energy: -498.758
where: short stacking energy: -209.011
Base-Backbone interact. energy: -0.866
local terms energy: -222.517767
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -53.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -473.001317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.001317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.001317 (E_RNA)
where:
Base-Base interactions energy: -280.550
where: short stacking energy: -145.935
Base-Backbone interact. energy: -0.927
local terms energy: -191.525159
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -36.039
flat angles C4'-P-C4' energy: -46.890
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -27.723
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: 150
Temperature: 1.350000
Total energy: -347.952510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.952510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.952510 (E_RNA)
where:
Base-Base interactions energy: -190.401
where: short stacking energy: -94.985
Base-Backbone interact. energy: 1.093
local terms energy: -158.644551
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -55.245
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -961.759105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.759105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.759105 (E_RNA)
where:
Base-Base interactions energy: -668.582
where: short stacking energy: -286.537
Base-Backbone interact. energy: -2.238
local terms energy: -290.939524
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -52.585
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -85.335
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: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -919.727009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.727009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.727009 (E_RNA)
where:
Base-Base interactions energy: -640.098
where: short stacking energy: -255.986
Base-Backbone interact. energy: 1.402
local terms energy: -281.030869
where:
bonds (distance) C4'-P energy: -49.373
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -56.577
flat angles P-C4'-P energy: -39.197
tors. eta vs tors. theta energy: -82.705
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: 151
Temperature: 1.000000
Total energy: -896.534755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.534755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.534755 (E_RNA)
where:
Base-Base interactions energy: -631.102
where: short stacking energy: -263.524
Base-Backbone interact. energy: -0.850
local terms energy: -264.583018
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -53.682
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -36.503
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: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -872.877308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.877308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.877308 (E_RNA)
where:
Base-Base interactions energy: -591.871
where: short stacking energy: -238.840
Base-Backbone interact. energy: -1.501
local terms energy: -279.505542
where:
bonds (distance) C4'-P energy: -53.645
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -67.936
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -75.701
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: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -819.943208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.943208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.943208 (E_RNA)
where:
Base-Base interactions energy: -559.095
where: short stacking energy: -223.930
Base-Backbone interact. energy: 2.640
local terms energy: -263.488240
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -47.548
flat angles C4'-P-C4' energy: -55.224
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -70.539
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: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -779.889017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.889017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.889017 (E_RNA)
where:
Base-Base interactions energy: -540.495
where: short stacking energy: -217.379
Base-Backbone interact. energy: -1.015
local terms energy: -238.378373
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -52.799
flat angles C4'-P-C4' energy: -46.993
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -57.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -774.990119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.990119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.990119 (E_RNA)
where:
Base-Base interactions energy: -529.358
where: short stacking energy: -233.739
Base-Backbone interact. energy: -0.197
local terms energy: -245.434572
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -42.695
flat angles C4'-P-C4' energy: -54.698
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -70.190
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: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -736.445503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.445503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.445503 (E_RNA)
where:
Base-Base interactions energy: -506.093
where: short stacking energy: -213.120
Base-Backbone interact. energy: -1.531
local terms energy: -228.821145
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -48.668
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -30.302
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: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -458.899926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.899926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.899926 (E_RNA)
where:
Base-Base interactions energy: -268.935
where: short stacking energy: -129.894
Base-Backbone interact. energy: -0.748
local terms energy: -189.216174
where:
bonds (distance) C4'-P energy: -39.652
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -25.431
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: 151
Temperature: 1.350000
Total energy: -348.632911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.632911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.632911 (E_RNA)
where:
Base-Base interactions energy: -173.924
where: short stacking energy: -86.160
Base-Backbone interact. energy: -0.494
local terms energy: -174.214914
where:
bonds (distance) C4'-P energy: -50.870
bonds (distance) P-C4' energy: -41.876
flat angles C4'-P-C4' energy: -50.056
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -969.353494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.353494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.353494 (E_RNA)
where:
Base-Base interactions energy: -674.028
where: short stacking energy: -295.509
Base-Backbone interact. energy: -0.863
local terms energy: -294.462684
where:
bonds (distance) C4'-P energy: -57.337
bonds (distance) P-C4' energy: -54.681
flat angles C4'-P-C4' energy: -58.201
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -90.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -945.381106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.381106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.381106 (E_RNA)
where:
Base-Base interactions energy: -655.031
where: short stacking energy: -288.515
Base-Backbone interact. energy: 1.482
local terms energy: -291.831909
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -61.574
flat angles P-C4'-P energy: -42.380
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: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -896.905350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.905350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.905350 (E_RNA)
where:
Base-Base interactions energy: -614.504
where: short stacking energy: -261.868
Base-Backbone interact. energy: -0.747
local terms energy: -281.654214
where:
bonds (distance) C4'-P energy: -62.738
bonds (distance) P-C4' energy: -52.760
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -75.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -880.517647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.517647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.517647 (E_RNA)
where:
Base-Base interactions energy: -607.798
where: short stacking energy: -265.271
Base-Backbone interact. energy: -0.249
local terms energy: -272.471322
where:
bonds (distance) C4'-P energy: -45.233
bonds (distance) P-C4' energy: -47.395
flat angles C4'-P-C4' energy: -57.361
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -83.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -829.004898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.004898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.004898 (E_RNA)
where:
Base-Base interactions energy: -581.168
where: short stacking energy: -224.999
Base-Backbone interact. energy: -1.164
local terms energy: -246.672654
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -46.249
flat angles P-C4'-P energy: -29.578
tors. eta vs tors. theta energy: -61.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -742.016049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.016049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.016049 (E_RNA)
where:
Base-Base interactions energy: -520.682
where: short stacking energy: -220.874
Base-Backbone interact. energy: 0.481
local terms energy: -221.815202
where:
bonds (distance) C4'-P energy: -44.902
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -51.096
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -58.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -756.212541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.212541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.212541 (E_RNA)
where:
Base-Base interactions energy: -516.909
where: short stacking energy: -217.119
Base-Backbone interact. energy: -0.403
local terms energy: -238.901197
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -40.310
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -63.251
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: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -703.517472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.517472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.517472 (E_RNA)
where:
Base-Base interactions energy: -477.045
where: short stacking energy: -208.934
Base-Backbone interact. energy: -0.254
local terms energy: -226.218509
where:
bonds (distance) C4'-P energy: -39.359
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -55.949
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: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -448.015929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.015929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.015929 (E_RNA)
where:
Base-Base interactions energy: -272.701
where: short stacking energy: -139.531
Base-Backbone interact. energy: 0.863
local terms energy: -176.177557
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -43.829
flat angles C4'-P-C4' energy: -51.692
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -32.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -335.328481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.328481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.328481 (E_RNA)
where:
Base-Base interactions energy: -168.076
where: short stacking energy: -91.540
Base-Backbone interact. energy: -0.581
local terms energy: -166.671056
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -955.097093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.097093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.097093 (E_RNA)
where:
Base-Base interactions energy: -653.446
where: short stacking energy: -281.946
Base-Backbone interact. energy: 0.450
local terms energy: -302.101444
where:
bonds (distance) C4'-P energy: -54.348
bonds (distance) P-C4' energy: -55.357
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -86.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -939.126783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.126783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.126783 (E_RNA)
where:
Base-Base interactions energy: -635.370
where: short stacking energy: -265.694
Base-Backbone interact. energy: -1.259
local terms energy: -302.497106
where:
bonds (distance) C4'-P energy: -60.075
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -87.968
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: 153
Temperature: 1.000000
Total energy: -904.097510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.097510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.097510 (E_RNA)
where:
Base-Base interactions energy: -611.429
where: short stacking energy: -262.651
Base-Backbone interact. energy: 2.438
local terms energy: -295.107032
where:
bonds (distance) C4'-P energy: -60.749
bonds (distance) P-C4' energy: -54.273
flat angles C4'-P-C4' energy: -61.717
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -78.180
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: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -898.124156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.124156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.124156 (E_RNA)
where:
Base-Base interactions energy: -639.212
where: short stacking energy: -262.518
Base-Backbone interact. energy: 0.182
local terms energy: -259.093910
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -80.408
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: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -832.522060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.522060 (E_RNA)
where:
Base-Base interactions energy: -573.441
where: short stacking energy: -246.357
Base-Backbone interact. energy: -1.117
local terms energy: -257.964078
where:
bonds (distance) C4'-P energy: -52.669
bonds (distance) P-C4' energy: -48.541
flat angles C4'-P-C4' energy: -51.054
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -68.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -749.124051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.124051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.124051 (E_RNA)
where:
Base-Base interactions energy: -509.698
where: short stacking energy: -203.513
Base-Backbone interact. energy: -1.392
local terms energy: -238.033673
where:
bonds (distance) C4'-P energy: -44.526
bonds (distance) P-C4' energy: -58.768
flat angles C4'-P-C4' energy: -53.042
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -53.462
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -741.534998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.534998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.534998 (E_RNA)
where:
Base-Base interactions energy: -521.303
where: short stacking energy: -217.983
Base-Backbone interact. energy: -0.766
local terms energy: -219.466111
where:
bonds (distance) C4'-P energy: -38.345
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -53.961
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: 153
Temperature: 1.250000
Total energy: -742.146898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.146898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.146898 (E_RNA)
where:
Base-Base interactions energy: -528.684
where: short stacking energy: -228.157
Base-Backbone interact. energy: -0.966
local terms energy: -212.497452
where:
bonds (distance) C4'-P energy: -42.553
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -48.740
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -54.374
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: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -434.477126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.477126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.477126 (E_RNA)
where:
Base-Base interactions energy: -259.684
where: short stacking energy: -135.845
Base-Backbone interact. energy: 1.496
local terms energy: -176.289072
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -40.232
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -361.669048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.669048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.669048 (E_RNA)
where:
Base-Base interactions energy: -203.488
where: short stacking energy: -104.225
Base-Backbone interact. energy: -0.472
local terms energy: -157.709523
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -46.816
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -965.671942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.671942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.671942 (E_RNA)
where:
Base-Base interactions energy: -668.072
where: short stacking energy: -291.202
Base-Backbone interact. energy: -0.503
local terms energy: -297.096766
where:
bonds (distance) C4'-P energy: -57.176
bonds (distance) P-C4' energy: -50.164
flat angles C4'-P-C4' energy: -60.933
flat angles P-C4'-P energy: -38.963
tors. eta vs tors. theta energy: -89.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -936.623397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.623397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.623397 (E_RNA)
where:
Base-Base interactions energy: -640.987
where: short stacking energy: -272.951
Base-Backbone interact. energy: -1.771
local terms energy: -293.865144
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -57.887
flat angles C4'-P-C4' energy: -61.536
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -79.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -920.519981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.519981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.519981 (E_RNA)
where:
Base-Base interactions energy: -622.612
where: short stacking energy: -263.849
Base-Backbone interact. energy: -1.143
local terms energy: -296.765506
where:
bonds (distance) C4'-P energy: -46.044
bonds (distance) P-C4' energy: -56.237
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -44.206
tors. eta vs tors. theta energy: -83.290
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: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -886.133589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.133589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.133589 (E_RNA)
where:
Base-Base interactions energy: -617.366
where: short stacking energy: -252.989
Base-Backbone interact. energy: -1.831
local terms energy: -266.936575
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -50.574
flat angles C4'-P-C4' energy: -53.119
flat angles P-C4'-P energy: -32.417
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: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -837.309948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.309948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.309948 (E_RNA)
where:
Base-Base interactions energy: -579.904
where: short stacking energy: -245.585
Base-Backbone interact. energy: -1.092
local terms energy: -256.313655
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -53.110
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -67.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -779.916055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.916055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.916055 (E_RNA)
where:
Base-Base interactions energy: -554.081
where: short stacking energy: -229.168
Base-Backbone interact. energy: -1.236
local terms energy: -224.598933
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -59.244
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: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -766.746326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.746326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.746326 (E_RNA)
where:
Base-Base interactions energy: -504.947
where: short stacking energy: -219.108
Base-Backbone interact. energy: -0.475
local terms energy: -261.324459
where:
bonds (distance) C4'-P energy: -47.639
bonds (distance) P-C4' energy: -55.215
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -68.580
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: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -731.523219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.523219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.523219 (E_RNA)
where:
Base-Base interactions energy: -510.755
where: short stacking energy: -213.371
Base-Backbone interact. energy: 0.855
local terms energy: -221.622646
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -45.791
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -438.384434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.384434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.384434 (E_RNA)
where:
Base-Base interactions energy: -270.498
where: short stacking energy: -131.253
Base-Backbone interact. energy: -1.834
local terms energy: -166.053181
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -43.663
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -312.903032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.903032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.903032 (E_RNA)
where:
Base-Base interactions energy: -152.061
where: short stacking energy: -82.288
Base-Backbone interact. energy: 0.212
local terms energy: -161.053681
where:
bonds (distance) C4'-P energy: -46.982
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -32.040
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -968.776074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.776074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.776074 (E_RNA)
where:
Base-Base interactions energy: -668.212
where: short stacking energy: -281.813
Base-Backbone interact. energy: -1.036
local terms energy: -299.527989
where:
bonds (distance) C4'-P energy: -54.421
bonds (distance) P-C4' energy: -50.747
flat angles C4'-P-C4' energy: -57.264
flat angles P-C4'-P energy: -43.847
tors. eta vs tors. theta energy: -93.250
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: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -954.062598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.062598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.062598 (E_RNA)
where:
Base-Base interactions energy: -659.760
where: short stacking energy: -274.498
Base-Backbone interact. energy: -1.801
local terms energy: -292.502346
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -62.738
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -86.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -932.193692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.193692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.193692 (E_RNA)
where:
Base-Base interactions energy: -643.293
where: short stacking energy: -268.656
Base-Backbone interact. energy: -1.796
local terms energy: -287.104473
where:
bonds (distance) C4'-P energy: -63.631
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -54.512
flat angles P-C4'-P energy: -41.574
tors. eta vs tors. theta energy: -80.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -882.170498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.170498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.170498 (E_RNA)
where:
Base-Base interactions energy: -620.876
where: short stacking energy: -262.725
Base-Backbone interact. energy: -0.143
local terms energy: -261.151784
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -55.928
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -32.405
tors. eta vs tors. theta energy: -70.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -839.391907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.391907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.391907 (E_RNA)
where:
Base-Base interactions energy: -584.835
where: short stacking energy: -234.224
Base-Backbone interact. energy: 0.564
local terms energy: -255.121313
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -59.052
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: -68.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -799.261226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.261226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.261226 (E_RNA)
where:
Base-Base interactions energy: -547.079
where: short stacking energy: -227.108
Base-Backbone interact. energy: -1.163
local terms energy: -251.019705
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -58.133
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -61.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -764.620515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.620515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.620515 (E_RNA)
where:
Base-Base interactions energy: -529.070
where: short stacking energy: -231.366
Base-Backbone interact. energy: 0.094
local terms energy: -235.645140
where:
bonds (distance) C4'-P energy: -34.698
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -47.333
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -68.681
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: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -731.665502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.665502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.665502 (E_RNA)
where:
Base-Base interactions energy: -500.234
where: short stacking energy: -196.976
Base-Backbone interact. energy: 1.283
local terms energy: -232.714206
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -59.684
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: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -448.841851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.841851 (E_RNA)
where:
Base-Base interactions energy: -283.430
where: short stacking energy: -143.400
Base-Backbone interact. energy: -0.737
local terms energy: -164.674897
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -41.906
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -21.192
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: 155
Temperature: 1.350000
Total energy: -322.530370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.530370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.530370 (E_RNA)
where:
Base-Base interactions energy: -162.958
where: short stacking energy: -90.756
Base-Backbone interact. energy: 2.000
local terms energy: -161.572359
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -49.450
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -7.318
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: 1, replica: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -967.768958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.768958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.768958 (E_RNA)
where:
Base-Base interactions energy: -661.403
where: short stacking energy: -288.241
Base-Backbone interact. energy: -2.517
local terms energy: -303.849601
where:
bonds (distance) C4'-P energy: -48.077
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -63.939
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -91.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -941.874571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.874571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.874571 (E_RNA)
where:
Base-Base interactions energy: -637.769
where: short stacking energy: -273.454
Base-Backbone interact. energy: -0.222
local terms energy: -303.883278
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -60.385
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -83.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -946.104150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.104150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.104150 (E_RNA)
where:
Base-Base interactions energy: -648.285
where: short stacking energy: -270.690
Base-Backbone interact. energy: -0.389
local terms energy: -297.429937
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -58.731
flat angles P-C4'-P energy: -48.657
tors. eta vs tors. theta energy: -89.569
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: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -858.674160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.674160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.674160 (E_RNA)
where:
Base-Base interactions energy: -586.510
where: short stacking energy: -246.869
Base-Backbone interact. energy: -1.500
local terms energy: -270.664031
where:
bonds (distance) C4'-P energy: -47.054
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -57.461
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -72.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -853.154995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.154995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.154995 (E_RNA)
where:
Base-Base interactions energy: -590.744
where: short stacking energy: -225.444
Base-Backbone interact. energy: -0.071
local terms energy: -262.340740
where:
bonds (distance) C4'-P energy: -54.793
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -59.811
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: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -793.140141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.140141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.140141 (E_RNA)
where:
Base-Base interactions energy: -534.169
where: short stacking energy: -241.583
Base-Backbone interact. energy: -1.347
local terms energy: -257.624145
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -45.556
flat angles C4'-P-C4' energy: -53.832
flat angles P-C4'-P energy: -43.653
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: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -720.944551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.944551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.944551 (E_RNA)
where:
Base-Base interactions energy: -502.579
where: short stacking energy: -210.818
Base-Backbone interact. energy: -0.518
local terms energy: -217.848111
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -42.286
flat angles C4'-P-C4' energy: -42.298
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -55.884
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: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -729.116732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.116732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.116732 (E_RNA)
where:
Base-Base interactions energy: -506.176
where: short stacking energy: -198.407
Base-Backbone interact. energy: 0.236
local terms energy: -223.176757
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -46.908
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -59.207
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: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -493.787622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.787622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.787622 (E_RNA)
where:
Base-Base interactions energy: -316.960
where: short stacking energy: -135.692
Base-Backbone interact. energy: 0.881
local terms energy: -177.708858
where:
bonds (distance) C4'-P energy: -38.711
bonds (distance) P-C4' energy: -36.814
flat angles C4'-P-C4' energy: -41.420
flat angles P-C4'-P energy: -43.693
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -319.833941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.833941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.833941 (E_RNA)
where:
Base-Base interactions energy: -170.082
where: short stacking energy: -76.358
Base-Backbone interact. energy: 5.366
local terms energy: -155.117511
where:
bonds (distance) C4'-P energy: -52.666
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -40.911
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: 1.245
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: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -981.895902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.895902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.895902 (E_RNA)
where:
Base-Base interactions energy: -685.672
where: short stacking energy: -280.270
Base-Backbone interact. energy: -1.316
local terms energy: -294.907944
where:
bonds (distance) C4'-P energy: -49.106
bonds (distance) P-C4' energy: -59.551
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -87.074
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: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -965.585104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.585104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.585104 (E_RNA)
where:
Base-Base interactions energy: -661.587
where: short stacking energy: -275.595
Base-Backbone interact. energy: -2.149
local terms energy: -301.849711
where:
bonds (distance) C4'-P energy: -58.126
bonds (distance) P-C4' energy: -52.594
flat angles C4'-P-C4' energy: -65.599
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: -81.391
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: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -936.304799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.304799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.304799 (E_RNA)
where:
Base-Base interactions energy: -649.390
where: short stacking energy: -270.890
Base-Backbone interact. energy: -1.218
local terms energy: -285.696498
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -57.542
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -86.837
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -872.304029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.304029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.304029 (E_RNA)
where:
Base-Base interactions energy: -601.449
where: short stacking energy: -242.597
Base-Backbone interact. energy: -0.610
local terms energy: -270.244913
where:
bonds (distance) C4'-P energy: -45.760
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -38.038
tors. eta vs tors. theta energy: -72.211
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -840.902304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.902304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.902304 (E_RNA)
where:
Base-Base interactions energy: -564.970
where: short stacking energy: -244.339
Base-Backbone interact. energy: 0.025
local terms energy: -275.957963
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -52.075
flat angles C4'-P-C4' energy: -54.501
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -81.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -793.519057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.519057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.519057 (E_RNA)
where:
Base-Base interactions energy: -548.098
where: short stacking energy: -230.442
Base-Backbone interact. energy: -1.527
local terms energy: -243.893533
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -55.633
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -66.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -760.526665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.526665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.526665 (E_RNA)
where:
Base-Base interactions energy: -524.944
where: short stacking energy: -220.105
Base-Backbone interact. energy: -0.744
local terms energy: -234.839603
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -40.368
flat angles C4'-P-C4' energy: -55.429
flat angles P-C4'-P energy: -30.476
tors. eta vs tors. theta energy: -60.462
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: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -719.687683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.687683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.687683 (E_RNA)
where:
Base-Base interactions energy: -502.795
where: short stacking energy: -198.588
Base-Backbone interact. energy: -1.754
local terms energy: -215.139092
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -45.403
flat angles C4'-P-C4' energy: -49.778
flat angles P-C4'-P energy: -30.713
tors. eta vs tors. theta energy: -49.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -533.098220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.098220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.098220 (E_RNA)
where:
Base-Base interactions energy: -329.322
where: short stacking energy: -164.105
Base-Backbone interact. energy: 0.232
local terms energy: -204.008336
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -40.835
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -45.488
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: 157
Temperature: 1.350000
Total energy: -323.782982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.782982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.782982 (E_RNA)
where:
Base-Base interactions energy: -163.759
where: short stacking energy: -92.569
Base-Backbone interact. energy: -0.289
local terms energy: -159.735531
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -10.459
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: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -956.211127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.211127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.211127 (E_RNA)
where:
Base-Base interactions energy: -666.218
where: short stacking energy: -290.417
Base-Backbone interact. energy: -0.820
local terms energy: -289.173538
where:
bonds (distance) C4'-P energy: -47.874
bonds (distance) P-C4' energy: -52.114
flat angles C4'-P-C4' energy: -56.446
flat angles P-C4'-P energy: -42.479
tors. eta vs tors. theta energy: -90.261
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: 158
Temperature: 0.950000
Total energy: -954.425108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.425108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.425108 (E_RNA)
where:
Base-Base interactions energy: -664.372
where: short stacking energy: -282.312
Base-Backbone interact. energy: -0.445
local terms energy: -289.608528
where:
bonds (distance) C4'-P energy: -49.123
bonds (distance) P-C4' energy: -56.684
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -34.017
tors. eta vs tors. theta energy: -91.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -909.160176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.160176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.160176 (E_RNA)
where:
Base-Base interactions energy: -641.872
where: short stacking energy: -272.358
Base-Backbone interact. energy: 0.992
local terms energy: -268.280755
where:
bonds (distance) C4'-P energy: -50.424
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -59.822
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -80.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -894.294002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.294002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.294002 (E_RNA)
where:
Base-Base interactions energy: -623.932
where: short stacking energy: -268.111
Base-Backbone interact. energy: -1.131
local terms energy: -269.230446
where:
bonds (distance) C4'-P energy: -50.376
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -45.558
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -82.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -798.624399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.624399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.624399 (E_RNA)
where:
Base-Base interactions energy: -550.850
where: short stacking energy: -242.688
Base-Backbone interact. energy: -0.910
local terms energy: -246.865045
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -58.491
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -61.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -791.223953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.223953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.223953 (E_RNA)
where:
Base-Base interactions energy: -549.784
where: short stacking energy: -240.511
Base-Backbone interact. energy: -1.010
local terms energy: -240.429728
where:
bonds (distance) C4'-P energy: -40.596
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -35.962
tors. eta vs tors. theta energy: -62.997
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: 158
Temperature: 1.200000
Total energy: -742.373110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.373110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.373110 (E_RNA)
where:
Base-Base interactions energy: -496.110
where: short stacking energy: -208.333
Base-Backbone interact. energy: -0.543
local terms energy: -245.719658
where:
bonds (distance) C4'-P energy: -45.952
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -54.146
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -62.146
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: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -707.153124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.153124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.153124 (E_RNA)
where:
Base-Base interactions energy: -477.209
where: short stacking energy: -193.775
Base-Backbone interact. energy: 0.105
local terms energy: -230.049235
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -56.547
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -60.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -506.365158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.365158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.365158 (E_RNA)
where:
Base-Base interactions energy: -333.358
where: short stacking energy: -142.415
Base-Backbone interact. energy: 1.134
local terms energy: -174.141569
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -39.280
flat angles C4'-P-C4' energy: -45.803
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -29.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -326.846707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.846707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.846707 (E_RNA)
where:
Base-Base interactions energy: -178.969
where: short stacking energy: -100.488
Base-Backbone interact. energy: 2.120
local terms energy: -149.997448
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -43.790
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -970.048110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.048110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.048110 (E_RNA)
where:
Base-Base interactions energy: -661.525
where: short stacking energy: -278.326
Base-Backbone interact. energy: -0.612
local terms energy: -307.910700
where:
bonds (distance) C4'-P energy: -60.174
bonds (distance) P-C4' energy: -50.185
flat angles C4'-P-C4' energy: -63.825
flat angles P-C4'-P energy: -46.836
tors. eta vs tors. theta energy: -86.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -937.604711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.604711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.604711 (E_RNA)
where:
Base-Base interactions energy: -653.525
where: short stacking energy: -266.415
Base-Backbone interact. energy: -1.868
local terms energy: -282.212261
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -81.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -907.513138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.513138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.513138 (E_RNA)
where:
Base-Base interactions energy: -631.084
where: short stacking energy: -263.215
Base-Backbone interact. energy: 0.388
local terms energy: -276.817446
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -44.861
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -76.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -911.644882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.644882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.644882 (E_RNA)
where:
Base-Base interactions energy: -614.848
where: short stacking energy: -272.112
Base-Backbone interact. energy: -1.185
local terms energy: -295.612712
where:
bonds (distance) C4'-P energy: -45.970
bonds (distance) P-C4' energy: -60.203
flat angles C4'-P-C4' energy: -59.593
flat angles P-C4'-P energy: -44.665
tors. eta vs tors. theta energy: -85.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -796.058716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.058716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.058716 (E_RNA)
where:
Base-Base interactions energy: -539.395
where: short stacking energy: -247.874
Base-Backbone interact. energy: 0.768
local terms energy: -257.431103
where:
bonds (distance) C4'-P energy: -36.752
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -41.603
tors. eta vs tors. theta energy: -64.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -762.850927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.850927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.850927 (E_RNA)
where:
Base-Base interactions energy: -524.163
where: short stacking energy: -217.834
Base-Backbone interact. energy: -2.929
local terms energy: -235.759471
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -48.830
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -51.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -748.775400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.775400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.775400 (E_RNA)
where:
Base-Base interactions energy: -516.799
where: short stacking energy: -231.604
Base-Backbone interact. energy: -0.468
local terms energy: -231.507931
where:
bonds (distance) C4'-P energy: -38.115
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -30.162
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: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -716.157019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.157019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.157019 (E_RNA)
where:
Base-Base interactions energy: -499.891
where: short stacking energy: -206.367
Base-Backbone interact. energy: 2.019
local terms energy: -218.285045
where:
bonds (distance) C4'-P energy: -48.161
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -45.251
flat angles P-C4'-P energy: -27.119
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: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -603.751443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.751443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.751443 (E_RNA)
where:
Base-Base interactions energy: -396.952
where: short stacking energy: -186.046
Base-Backbone interact. energy: 0.610
local terms energy: -207.409550
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -40.875
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: -47.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -340.063003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.063003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.063003 (E_RNA)
where:
Base-Base interactions energy: -176.312
where: short stacking energy: -92.124
Base-Backbone interact. energy: -1.238
local terms energy: -162.513030
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -975.751423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.751423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.751423 (E_RNA)
where:
Base-Base interactions energy: -666.194
where: short stacking energy: -286.017
Base-Backbone interact. energy: 0.385
local terms energy: -309.942246
where:
bonds (distance) C4'-P energy: -59.455
bonds (distance) P-C4' energy: -56.788
flat angles C4'-P-C4' energy: -59.137
flat angles P-C4'-P energy: -45.134
tors. eta vs tors. theta energy: -89.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -948.976354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.976354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.976354 (E_RNA)
where:
Base-Base interactions energy: -648.446
where: short stacking energy: -282.768
Base-Backbone interact. energy: 1.035
local terms energy: -301.565105
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -63.209
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: -86.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -894.106528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.106528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.106528 (E_RNA)
where:
Base-Base interactions energy: -607.254
where: short stacking energy: -252.055
Base-Backbone interact. energy: -0.129
local terms energy: -286.723513
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -61.960
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -73.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -905.189322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.189322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.189322 (E_RNA)
where:
Base-Base interactions energy: -624.330
where: short stacking energy: -252.344
Base-Backbone interact. energy: -0.636
local terms energy: -280.223462
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -43.534
tors. eta vs tors. theta energy: -80.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -824.482776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.482776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.482776 (E_RNA)
where:
Base-Base interactions energy: -549.762
where: short stacking energy: -247.490
Base-Backbone interact. energy: -0.653
local terms energy: -274.067630
where:
bonds (distance) C4'-P energy: -54.279
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -59.511
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -74.596
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: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -781.086390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.086390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.086390 (E_RNA)
where:
Base-Base interactions energy: -523.546
where: short stacking energy: -226.265
Base-Backbone interact. energy: -0.361
local terms energy: -257.179144
where:
bonds (distance) C4'-P energy: -54.672
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -32.998
tors. eta vs tors. theta energy: -63.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -749.974663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.974663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.974663 (E_RNA)
where:
Base-Base interactions energy: -508.993
where: short stacking energy: -213.785
Base-Backbone interact. energy: -0.851
local terms energy: -240.130733
where:
bonds (distance) C4'-P energy: -44.442
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -50.370
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -62.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -733.367043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.367043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.367043 (E_RNA)
where:
Base-Base interactions energy: -496.912
where: short stacking energy: -212.211
Base-Backbone interact. energy: -0.285
local terms energy: -236.169830
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -48.740
flat angles C4'-P-C4' energy: -53.368
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -56.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -615.528117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.528117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.528117 (E_RNA)
where:
Base-Base interactions energy: -400.209
where: short stacking energy: -165.098
Base-Backbone interact. energy: -0.453
local terms energy: -214.865993
where:
bonds (distance) C4'-P energy: -47.025
bonds (distance) P-C4' energy: -50.782
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -28.583
tors. eta vs tors. theta energy: -44.826
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: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -308.156172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.156172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.156172 (E_RNA)
where:
Base-Base interactions energy: -157.273
where: short stacking energy: -89.253
Base-Backbone interact. energy: 0.358
local terms energy: -151.240848
where:
bonds (distance) C4'-P energy: -43.282
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -6.401
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: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -963.021077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.021077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.021077 (E_RNA)
where:
Base-Base interactions energy: -646.951
where: short stacking energy: -274.877
Base-Backbone interact. energy: -0.640
local terms energy: -315.429564
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -60.835
flat angles C4'-P-C4' energy: -58.487
flat angles P-C4'-P energy: -51.675
tors. eta vs tors. theta energy: -87.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -956.392258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.392258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.392258 (E_RNA)
where:
Base-Base interactions energy: -665.770
where: short stacking energy: -295.535
Base-Backbone interact. energy: -0.492
local terms energy: -290.130810
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -56.556
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -87.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -892.478951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.478951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.478951 (E_RNA)
where:
Base-Base interactions energy: -615.517
where: short stacking energy: -256.785
Base-Backbone interact. energy: -2.089
local terms energy: -274.873155
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -54.091
flat angles C4'-P-C4' energy: -62.505
flat angles P-C4'-P energy: -34.741
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -921.144704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.144704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.144704 (E_RNA)
where:
Base-Base interactions energy: -645.033
where: short stacking energy: -270.025
Base-Backbone interact. energy: -1.265
local terms energy: -274.846801
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -52.469
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -79.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -796.554877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.554877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.554877 (E_RNA)
where:
Base-Base interactions energy: -542.189
where: short stacking energy: -235.405
Base-Backbone interact. energy: -0.299
local terms energy: -254.066527
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -35.682
tors. eta vs tors. theta energy: -65.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -771.267742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.267742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.267742 (E_RNA)
where:
Base-Base interactions energy: -506.535
where: short stacking energy: -203.687
Base-Backbone interact. energy: -0.377
local terms energy: -264.355991
where:
bonds (distance) C4'-P energy: -55.394
bonds (distance) P-C4' energy: -50.880
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -37.875
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: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -753.006043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.006043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.006043 (E_RNA)
where:
Base-Base interactions energy: -506.227
where: short stacking energy: -216.208
Base-Backbone interact. energy: 0.306
local terms energy: -247.084522
where:
bonds (distance) C4'-P energy: -44.158
bonds (distance) P-C4' energy: -57.749
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -53.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -678.819488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.819488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.819488 (E_RNA)
where:
Base-Base interactions energy: -474.714
where: short stacking energy: -193.930
Base-Backbone interact. energy: -1.228
local terms energy: -202.877291
where:
bonds (distance) C4'-P energy: -38.387
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -49.268
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -39.802
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: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -552.762771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.762771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.762771 (E_RNA)
where:
Base-Base interactions energy: -351.663
where: short stacking energy: -145.397
Base-Backbone interact. energy: -1.708
local terms energy: -199.392103
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -54.340
flat angles C4'-P-C4' energy: -45.766
flat angles P-C4'-P energy: -21.172
tors. eta vs tors. theta energy: -35.307
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: 161
Temperature: 1.350000
Total energy: -307.134434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.134434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.134434 (E_RNA)
where:
Base-Base interactions energy: -147.692
where: short stacking energy: -77.438
Base-Backbone interact. energy: 0.834
local terms energy: -160.276037
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -6.798
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: 162
Temperature: 0.900000
Total energy: -959.809249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.809249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.809249 (E_RNA)
where:
Base-Base interactions energy: -658.970
where: short stacking energy: -276.666
Base-Backbone interact. energy: 1.714
local terms energy: -302.552851
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -52.415
flat angles C4'-P-C4' energy: -59.685
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -91.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -925.486909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.486909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.486909 (E_RNA)
where:
Base-Base interactions energy: -648.258
where: short stacking energy: -270.590
Base-Backbone interact. energy: -2.085
local terms energy: -275.144117
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -56.836
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -78.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -937.758963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.758963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.758963 (E_RNA)
where:
Base-Base interactions energy: -648.997
where: short stacking energy: -267.149
Base-Backbone interact. energy: -0.084
local terms energy: -288.677782
where:
bonds (distance) C4'-P energy: -54.555
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -52.609
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -86.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -900.274762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.274762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.274762 (E_RNA)
where:
Base-Base interactions energy: -630.248
where: short stacking energy: -254.782
Base-Backbone interact. energy: 0.154
local terms energy: -270.181274
where:
bonds (distance) C4'-P energy: -50.686
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -59.328
flat angles P-C4'-P energy: -38.967
tors. eta vs tors. theta energy: -74.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -809.053222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.053222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.053222 (E_RNA)
where:
Base-Base interactions energy: -546.551
where: short stacking energy: -227.640
Base-Backbone interact. energy: 0.076
local terms energy: -262.577928
where:
bonds (distance) C4'-P energy: -45.940
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -59.987
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -63.853
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: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -788.745213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.745213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.745213 (E_RNA)
where:
Base-Base interactions energy: -542.450
where: short stacking energy: -236.579
Base-Backbone interact. energy: -2.348
local terms energy: -243.946518
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -66.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -756.868279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.868279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.868279 (E_RNA)
where:
Base-Base interactions energy: -521.230
where: short stacking energy: -198.804
Base-Backbone interact. energy: -0.508
local terms energy: -235.130211
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -690.709841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.709841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.709841 (E_RNA)
where:
Base-Base interactions energy: -472.479
where: short stacking energy: -192.433
Base-Backbone interact. energy: 0.592
local terms energy: -218.822865
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -52.074
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -47.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -540.134643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.134643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.134643 (E_RNA)
where:
Base-Base interactions energy: -333.265
where: short stacking energy: -147.664
Base-Backbone interact. energy: -0.672
local terms energy: -206.197366
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -46.180
flat angles C4'-P-C4' energy: -37.918
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -44.724
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: 162
Temperature: 1.350000
Total energy: -325.820913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.820913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.820913 (E_RNA)
where:
Base-Base interactions energy: -169.588
where: short stacking energy: -92.383
Base-Backbone interact. energy: -1.156
local terms energy: -155.077064
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -33.539
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -963.840991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.840991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.840991 (E_RNA)
where:
Base-Base interactions energy: -659.508
where: short stacking energy: -291.526
Base-Backbone interact. energy: 0.154
local terms energy: -304.486853
where:
bonds (distance) C4'-P energy: -47.046
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -67.498
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -93.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -956.067722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.067722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.067722 (E_RNA)
where:
Base-Base interactions energy: -654.850
where: short stacking energy: -283.528
Base-Backbone interact. energy: -1.539
local terms energy: -299.678704
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -85.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -931.929590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.929590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.929590 (E_RNA)
where:
Base-Base interactions energy: -640.950
where: short stacking energy: -277.562
Base-Backbone interact. energy: -0.665
local terms energy: -290.314192
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -88.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -871.142383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.142383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.142383 (E_RNA)
where:
Base-Base interactions energy: -596.791
where: short stacking energy: -236.069
Base-Backbone interact. energy: -1.183
local terms energy: -273.168475
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -50.243
flat angles C4'-P-C4' energy: -61.287
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -70.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -807.104741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.104741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.104741 (E_RNA)
where:
Base-Base interactions energy: -557.650
where: short stacking energy: -237.640
Base-Backbone interact. energy: -0.249
local terms energy: -249.205768
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -51.389
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: -64.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -786.359883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.359883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.359883 (E_RNA)
where:
Base-Base interactions energy: -532.857
where: short stacking energy: -230.715
Base-Backbone interact. energy: -0.706
local terms energy: -252.796512
where:
bonds (distance) C4'-P energy: -43.305
bonds (distance) P-C4' energy: -56.359
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -68.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -753.806281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.806281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.806281 (E_RNA)
where:
Base-Base interactions energy: -521.220
where: short stacking energy: -199.009
Base-Backbone interact. energy: -1.522
local terms energy: -231.064359
where:
bonds (distance) C4'-P energy: -42.150
bonds (distance) P-C4' energy: -49.987
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -54.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -698.417474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.417474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.417474 (E_RNA)
where:
Base-Base interactions energy: -474.563
where: short stacking energy: -189.590
Base-Backbone interact. energy: -0.171
local terms energy: -223.683887
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -45.252
flat angles C4'-P-C4' energy: -49.666
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -41.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -519.150871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.150871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.150871 (E_RNA)
where:
Base-Base interactions energy: -333.865
where: short stacking energy: -148.974
Base-Backbone interact. energy: 4.750
local terms energy: -190.035950
where:
bonds (distance) C4'-P energy: -43.016
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -39.176
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: 163
Temperature: 1.350000
Total energy: -345.909141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.909141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.909141 (E_RNA)
where:
Base-Base interactions energy: -183.986
where: short stacking energy: -97.219
Base-Backbone interact. energy: 0.175
local terms energy: -162.098549
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -44.905
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -964.085851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.085851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.085851 (E_RNA)
where:
Base-Base interactions energy: -660.263
where: short stacking energy: -277.182
Base-Backbone interact. energy: 0.872
local terms energy: -304.695314
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -56.155
flat angles C4'-P-C4' energy: -57.789
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -90.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -939.898570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.898570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.898570 (E_RNA)
where:
Base-Base interactions energy: -641.140
where: short stacking energy: -271.543
Base-Backbone interact. energy: -2.029
local terms energy: -296.729439
where:
bonds (distance) C4'-P energy: -59.111
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -62.496
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -87.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -943.160508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.160508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.160508 (E_RNA)
where:
Base-Base interactions energy: -651.046
where: short stacking energy: -278.941
Base-Backbone interact. energy: 0.266
local terms energy: -292.380183
where:
bonds (distance) C4'-P energy: -51.547
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -41.491
tors. eta vs tors. theta energy: -90.120
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: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -821.265121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.265121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.265121 (E_RNA)
where:
Base-Base interactions energy: -578.875
where: short stacking energy: -242.000
Base-Backbone interact. energy: 0.252
local terms energy: -242.641990
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -50.739
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -40.510
tors. eta vs tors. theta energy: -62.341
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: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -797.540134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.540134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.540134 (E_RNA)
where:
Base-Base interactions energy: -550.782
where: short stacking energy: -232.796
Base-Backbone interact. energy: 0.506
local terms energy: -247.264863
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -46.886
flat angles C4'-P-C4' energy: -48.952
flat angles P-C4'-P energy: -37.800
tors. eta vs tors. theta energy: -70.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -779.070084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.070084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.070084 (E_RNA)
where:
Base-Base interactions energy: -541.880
where: short stacking energy: -239.999
Base-Backbone interact. energy: 0.658
local terms energy: -237.847795
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -52.157
flat angles P-C4'-P energy: -30.079
tors. eta vs tors. theta energy: -68.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -714.117948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.117948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.117948 (E_RNA)
where:
Base-Base interactions energy: -497.133
where: short stacking energy: -198.428
Base-Backbone interact. energy: 5.198
local terms energy: -222.183586
where:
bonds (distance) C4'-P energy: -42.598
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -52.706
flat angles P-C4'-P energy: -32.145
tors. eta vs tors. theta energy: -45.609
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -693.278816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.278816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.278816 (E_RNA)
where:
Base-Base interactions energy: -476.398
where: short stacking energy: -192.674
Base-Backbone interact. energy: 1.668
local terms energy: -218.548706
where:
bonds (distance) C4'-P energy: -44.987
bonds (distance) P-C4' energy: -43.515
flat angles C4'-P-C4' energy: -50.289
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -52.477
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: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -515.381893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.381893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.381893 (E_RNA)
where:
Base-Base interactions energy: -318.680
where: short stacking energy: -162.761
Base-Backbone interact. energy: -0.050
local terms energy: -196.652167
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -37.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -321.063462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.063462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.063462 (E_RNA)
where:
Base-Base interactions energy: -186.630
where: short stacking energy: -98.402
Base-Backbone interact. energy: -0.385
local terms energy: -134.048031
where:
bonds (distance) C4'-P energy: -32.645
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -35.438
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -956.664635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.664635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.664635 (E_RNA)
where:
Base-Base interactions energy: -660.464
where: short stacking energy: -287.600
Base-Backbone interact. energy: -0.995
local terms energy: -295.206287
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -34.742
tors. eta vs tors. theta energy: -87.019
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: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -941.527757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.527757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.527757 (E_RNA)
where:
Base-Base interactions energy: -650.130
where: short stacking energy: -274.564
Base-Backbone interact. energy: -1.498
local terms energy: -289.899229
where:
bonds (distance) C4'-P energy: -51.920
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -60.703
flat angles P-C4'-P energy: -41.922
tors. eta vs tors. theta energy: -80.943
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: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -908.363335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.363335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.363335 (E_RNA)
where:
Base-Base interactions energy: -620.645
where: short stacking energy: -270.253
Base-Backbone interact. energy: -1.177
local terms energy: -286.540925
where:
bonds (distance) C4'-P energy: -59.884
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -79.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -846.439486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.439486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.439486 (E_RNA)
where:
Base-Base interactions energy: -591.694
where: short stacking energy: -230.312
Base-Backbone interact. energy: 2.169
local terms energy: -256.914678
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -50.137
flat angles C4'-P-C4' energy: -61.311
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -57.462
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -831.686434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.686434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.686434 (E_RNA)
where:
Base-Base interactions energy: -564.197
where: short stacking energy: -256.257
Base-Backbone interact. energy: -0.357
local terms energy: -267.132424
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -60.949
flat angles P-C4'-P energy: -43.429
tors. eta vs tors. theta energy: -68.607
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: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -735.290097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.290097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.290097 (E_RNA)
where:
Base-Base interactions energy: -503.926
where: short stacking energy: -210.886
Base-Backbone interact. energy: 0.834
local terms energy: -232.198333
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -50.623
flat angles C4'-P-C4' energy: -51.468
flat angles P-C4'-P energy: -30.373
tors. eta vs tors. theta energy: -54.725
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: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -763.027038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.027038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.027038 (E_RNA)
where:
Base-Base interactions energy: -528.663
where: short stacking energy: -231.375
Base-Backbone interact. energy: 0.346
local terms energy: -234.709747
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -48.594
flat angles C4'-P-C4' energy: -55.931
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -57.243
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: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -700.614607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.614607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.614607 (E_RNA)
where:
Base-Base interactions energy: -469.694
where: short stacking energy: -191.227
Base-Backbone interact. energy: 0.054
local terms energy: -230.974673
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -42.456
flat angles C4'-P-C4' energy: -49.694
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -56.523
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -474.792261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.792261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.792261 (E_RNA)
where:
Base-Base interactions energy: -298.141
where: short stacking energy: -142.079
Base-Backbone interact. energy: -3.041
local terms energy: -173.610239
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -55.805
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -21.575
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: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -309.421339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.421339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.421339 (E_RNA)
where:
Base-Base interactions energy: -160.187
where: short stacking energy: -84.420
Base-Backbone interact. energy: -0.695
local terms energy: -148.539344
where:
bonds (distance) C4'-P energy: -52.543
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -43.809
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: 9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -965.031183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.031183 (E_RNA)
where:
Base-Base interactions energy: -663.195
where: short stacking energy: -284.268
Base-Backbone interact. energy: -1.300
local terms energy: -300.536395
where:
bonds (distance) C4'-P energy: -52.201
bonds (distance) P-C4' energy: -52.459
flat angles C4'-P-C4' energy: -66.655
flat angles P-C4'-P energy: -40.247
tors. eta vs tors. theta energy: -88.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -936.568189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.568189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.568189 (E_RNA)
where:
Base-Base interactions energy: -668.549
where: short stacking energy: -266.616
Base-Backbone interact. energy: 3.277
local terms energy: -271.296018
where:
bonds (distance) C4'-P energy: -49.016
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -60.306
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -74.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -875.971368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.971368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.971368 (E_RNA)
where:
Base-Base interactions energy: -602.603
where: short stacking energy: -245.945
Base-Backbone interact. energy: 0.777
local terms energy: -274.145906
where:
bonds (distance) C4'-P energy: -50.439
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -76.362
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: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -885.232397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.232397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.232397 (E_RNA)
where:
Base-Base interactions energy: -612.152
where: short stacking energy: -255.384
Base-Backbone interact. energy: -1.744
local terms energy: -271.336597
where:
bonds (distance) C4'-P energy: -41.395
bonds (distance) P-C4' energy: -54.842
flat angles C4'-P-C4' energy: -52.823
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -79.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -802.429048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.429048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.429048 (E_RNA)
where:
Base-Base interactions energy: -538.842
where: short stacking energy: -241.207
Base-Backbone interact. energy: -0.335
local terms energy: -263.251851
where:
bonds (distance) C4'-P energy: -48.626
bonds (distance) P-C4' energy: -47.769
flat angles C4'-P-C4' energy: -59.194
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: -66.176
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: 166
Temperature: 1.150000
Total energy: -734.180790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.180790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.180790 (E_RNA)
where:
Base-Base interactions energy: -508.840
where: short stacking energy: -214.192
Base-Backbone interact. energy: -0.264
local terms energy: -225.076937
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -43.983
flat angles C4'-P-C4' energy: -48.109
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -58.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -757.050346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.050346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.050346 (E_RNA)
where:
Base-Base interactions energy: -525.732
where: short stacking energy: -222.579
Base-Backbone interact. energy: 1.028
local terms energy: -232.345856
where:
bonds (distance) C4'-P energy: -36.636
bonds (distance) P-C4' energy: -48.156
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -60.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -710.169298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.169298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.169298 (E_RNA)
where:
Base-Base interactions energy: -495.185
where: short stacking energy: -205.019
Base-Backbone interact. energy: -0.428
local terms energy: -214.556899
where:
bonds (distance) C4'-P energy: -44.771
bonds (distance) P-C4' energy: -47.446
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -55.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -468.784274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.784274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.784274 (E_RNA)
where:
Base-Base interactions energy: -293.675
where: short stacking energy: -130.972
Base-Backbone interact. energy: 1.438
local terms energy: -176.547090
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -32.038
flat angles C4'-P-C4' energy: -44.258
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -23.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -271.829102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.829102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.829102 (E_RNA)
where:
Base-Base interactions energy: -129.996
where: short stacking energy: -69.709
Base-Backbone interact. energy: -1.930
local terms energy: -139.903243
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -37.649
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: 14.372
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: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -959.587465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.587465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.587465 (E_RNA)
where:
Base-Base interactions energy: -655.951
where: short stacking energy: -280.591
Base-Backbone interact. energy: 0.445
local terms energy: -304.081451
where:
bonds (distance) C4'-P energy: -51.459
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -64.977
flat angles P-C4'-P energy: -47.827
tors. eta vs tors. theta energy: -86.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -896.853501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.853501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.853501 (E_RNA)
where:
Base-Base interactions energy: -631.837
where: short stacking energy: -257.390
Base-Backbone interact. energy: -1.389
local terms energy: -263.627896
where:
bonds (distance) C4'-P energy: -49.383
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -54.570
flat angles P-C4'-P energy: -46.020
tors. eta vs tors. theta energy: -67.691
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: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -923.016625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.016625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.016625 (E_RNA)
where:
Base-Base interactions energy: -633.067
where: short stacking energy: -270.340
Base-Backbone interact. energy: -1.497
local terms energy: -288.451961
where:
bonds (distance) C4'-P energy: -55.606
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -59.562
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -83.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -893.268873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.268873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.268873 (E_RNA)
where:
Base-Base interactions energy: -622.109
where: short stacking energy: -260.576
Base-Backbone interact. energy: -0.312
local terms energy: -270.847275
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -56.377
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -79.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -808.658681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.658681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.658681 (E_RNA)
where:
Base-Base interactions energy: -550.363
where: short stacking energy: -232.764
Base-Backbone interact. energy: -0.473
local terms energy: -257.822616
where:
bonds (distance) C4'-P energy: -43.247
bonds (distance) P-C4' energy: -50.307
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -72.335
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: 167
Temperature: 1.150000
Total energy: -760.125909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.125909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.125909 (E_RNA)
where:
Base-Base interactions energy: -510.853
where: short stacking energy: -222.345
Base-Backbone interact. energy: -1.099
local terms energy: -248.173344
where:
bonds (distance) C4'-P energy: -46.743
bonds (distance) P-C4' energy: -52.163
flat angles C4'-P-C4' energy: -48.378
flat angles P-C4'-P energy: -39.946
tors. eta vs tors. theta energy: -60.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -742.457016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.457016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.457016 (E_RNA)
where:
Base-Base interactions energy: -510.565
where: short stacking energy: -205.154
Base-Backbone interact. energy: -0.316
local terms energy: -231.575910
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -45.954
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -54.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -711.394365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.394365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.394365 (E_RNA)
where:
Base-Base interactions energy: -496.520
where: short stacking energy: -216.176
Base-Backbone interact. energy: -1.271
local terms energy: -213.604078
where:
bonds (distance) C4'-P energy: -45.561
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -54.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -452.563207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.563207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.563207 (E_RNA)
where:
Base-Base interactions energy: -269.221
where: short stacking energy: -116.883
Base-Backbone interact. energy: -1.334
local terms energy: -182.008172
where:
bonds (distance) C4'-P energy: -54.625
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -37.860
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -233.033340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.033340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.033340 (E_RNA)
where:
Base-Base interactions energy: -99.592
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.889
local terms energy: -132.552175
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -46.870
flat angles C4'-P-C4' energy: -35.087
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: 6.894
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: 168
Temperature: 0.900000
Total energy: -972.863210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.863210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.863210 (E_RNA)
where:
Base-Base interactions energy: -681.038
where: short stacking energy: -296.686
Base-Backbone interact. energy: -0.647
local terms energy: -291.178770
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -87.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -906.725578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.725578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.725578 (E_RNA)
where:
Base-Base interactions energy: -628.813
where: short stacking energy: -266.764
Base-Backbone interact. energy: -1.183
local terms energy: -276.730211
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -50.400
flat angles C4'-P-C4' energy: -66.389
flat angles P-C4'-P energy: -32.438
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: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -909.784171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.784171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.784171 (E_RNA)
where:
Base-Base interactions energy: -628.215
where: short stacking energy: -275.888
Base-Backbone interact. energy: 0.045
local terms energy: -281.614247
where:
bonds (distance) C4'-P energy: -58.986
bonds (distance) P-C4' energy: -47.985
flat angles C4'-P-C4' energy: -56.633
flat angles P-C4'-P energy: -33.665
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: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -917.481776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.481776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.481776 (E_RNA)
where:
Base-Base interactions energy: -636.817
where: short stacking energy: -276.203
Base-Backbone interact. energy: -0.873
local terms energy: -279.791358
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -53.758
flat angles C4'-P-C4' energy: -56.962
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -78.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -826.750573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.750573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.750573 (E_RNA)
where:
Base-Base interactions energy: -569.642
where: short stacking energy: -249.075
Base-Backbone interact. energy: 0.226
local terms energy: -257.334224
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -57.598
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -75.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -767.771324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.771324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.771324 (E_RNA)
where:
Base-Base interactions energy: -508.716
where: short stacking energy: -232.235
Base-Backbone interact. energy: -0.515
local terms energy: -258.540723
where:
bonds (distance) C4'-P energy: -51.886
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -58.355
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: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -735.718475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.718475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.718475 (E_RNA)
where:
Base-Base interactions energy: -503.135
where: short stacking energy: -225.006
Base-Backbone interact. energy: -1.335
local terms energy: -231.248921
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -46.035
flat angles P-C4'-P energy: -32.112
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: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -653.019827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.019827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.019827 (E_RNA)
where:
Base-Base interactions energy: -441.611
where: short stacking energy: -180.452
Base-Backbone interact. energy: -2.847
local terms energy: -208.561103
where:
bonds (distance) C4'-P energy: -45.891
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -32.172
tors. eta vs tors. theta energy: -44.125
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: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -445.975419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.975419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.975419 (E_RNA)
where:
Base-Base interactions energy: -275.071
where: short stacking energy: -140.787
Base-Backbone interact. energy: -0.090
local terms energy: -170.814615
where:
bonds (distance) C4'-P energy: -40.509
bonds (distance) P-C4' energy: -37.514
flat angles C4'-P-C4' energy: -51.402
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -18.212
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: 168
Temperature: 1.350000
Total energy: -241.011402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.011402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.011402 (E_RNA)
where:
Base-Base interactions energy: -78.923
where: short stacking energy: -64.604
Base-Backbone interact. energy: -1.512
local terms energy: -160.576629
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: 6.498
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: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -963.407728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.407728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.407728 (E_RNA)
where:
Base-Base interactions energy: -662.276
where: short stacking energy: -285.428
Base-Backbone interact. energy: -1.338
local terms energy: -299.792921
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -61.986
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -96.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -931.707829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.707829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.707829 (E_RNA)
where:
Base-Base interactions energy: -642.188
where: short stacking energy: -265.687
Base-Backbone interact. energy: 1.305
local terms energy: -290.824516
where:
bonds (distance) C4'-P energy: -52.053
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -893.948300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.948300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.948300 (E_RNA)
where:
Base-Base interactions energy: -616.751
where: short stacking energy: -255.078
Base-Backbone interact. energy: 0.838
local terms energy: -278.034483
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -61.373
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -75.390
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: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -913.683960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.683960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.683960 (E_RNA)
where:
Base-Base interactions energy: -631.150
where: short stacking energy: -273.099
Base-Backbone interact. energy: -0.759
local terms energy: -281.775309
where:
bonds (distance) C4'-P energy: -59.923
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -52.947
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -84.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -805.861333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.861333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.861333 (E_RNA)
where:
Base-Base interactions energy: -551.967
where: short stacking energy: -231.239
Base-Backbone interact. energy: 0.140
local terms energy: -254.034012
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -64.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -789.006652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.006652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.006652 (E_RNA)
where:
Base-Base interactions energy: -548.972
where: short stacking energy: -233.958
Base-Backbone interact. energy: -0.751
local terms energy: -239.283544
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -48.528
flat angles C4'-P-C4' energy: -50.734
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: -66.423
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: 169
Temperature: 1.200000
Total energy: -792.314923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.314923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.314923 (E_RNA)
where:
Base-Base interactions energy: -543.746
where: short stacking energy: -216.721
Base-Backbone interact. energy: 0.118
local terms energy: -248.687763
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -52.641
flat angles C4'-P-C4' energy: -57.355
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -59.909
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: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -705.968192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.968192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.968192 (E_RNA)
where:
Base-Base interactions energy: -488.866
where: short stacking energy: -215.015
Base-Backbone interact. energy: -0.386
local terms energy: -216.716556
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -45.125
flat angles P-C4'-P energy: -28.988
tors. eta vs tors. theta energy: -53.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -455.201091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.201091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.201091 (E_RNA)
where:
Base-Base interactions energy: -278.973
where: short stacking energy: -148.473
Base-Backbone interact. energy: -1.518
local terms energy: -174.710785
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -41.575
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -28.083
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -266.886469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.886469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.886469 (E_RNA)
where:
Base-Base interactions energy: -131.680
where: short stacking energy: -74.324
Base-Backbone interact. energy: 1.324
local terms energy: -136.530611
where:
bonds (distance) C4'-P energy: -49.683
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: 1.791
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: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -951.675452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.675452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.675452 (E_RNA)
where:
Base-Base interactions energy: -645.397
where: short stacking energy: -280.104
Base-Backbone interact. energy: -2.076
local terms energy: -304.202779
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -51.116
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -38.354
tors. eta vs tors. theta energy: -90.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -967.007425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.007425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.007425 (E_RNA)
where:
Base-Base interactions energy: -667.016
where: short stacking energy: -278.212
Base-Backbone interact. energy: -0.701
local terms energy: -299.290265
where:
bonds (distance) C4'-P energy: -56.601
bonds (distance) P-C4' energy: -55.174
flat angles C4'-P-C4' energy: -54.923
flat angles P-C4'-P energy: -42.612
tors. eta vs tors. theta energy: -89.980
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: 170
Temperature: 1.000000
Total energy: -926.171928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.171928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.171928 (E_RNA)
where:
Base-Base interactions energy: -647.587
where: short stacking energy: -257.426
Base-Backbone interact. energy: -1.049
local terms energy: -277.535998
where:
bonds (distance) C4'-P energy: -49.407
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -53.199
flat angles P-C4'-P energy: -40.708
tors. eta vs tors. theta energy: -84.366
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -887.845829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.845829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.845829 (E_RNA)
where:
Base-Base interactions energy: -608.268
where: short stacking energy: -252.618
Base-Backbone interact. energy: -0.865
local terms energy: -278.712822
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -46.654
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -772.842769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.842769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.842769 (E_RNA)
where:
Base-Base interactions energy: -526.841
where: short stacking energy: -232.245
Base-Backbone interact. energy: -0.654
local terms energy: -245.347673
where:
bonds (distance) C4'-P energy: -45.815
bonds (distance) P-C4' energy: -53.589
flat angles C4'-P-C4' energy: -49.913
flat angles P-C4'-P energy: -36.220
tors. eta vs tors. theta energy: -59.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -774.482886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.482886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.482886 (E_RNA)
where:
Base-Base interactions energy: -513.944
where: short stacking energy: -217.659
Base-Backbone interact. energy: -2.729
local terms energy: -257.809638
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -46.449
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -68.280
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: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -769.288520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.288520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.288520 (E_RNA)
where:
Base-Base interactions energy: -551.718
where: short stacking energy: -244.313
Base-Backbone interact. energy: 4.379
local terms energy: -221.948951
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -51.090
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -62.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -710.342685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.342685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.342685 (E_RNA)
where:
Base-Base interactions energy: -484.842
where: short stacking energy: -209.122
Base-Backbone interact. energy: 4.560
local terms energy: -230.061501
where:
bonds (distance) C4'-P energy: -43.293
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -55.010
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: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -474.191021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.191021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.191021 (E_RNA)
where:
Base-Base interactions energy: -280.280
where: short stacking energy: -122.808
Base-Backbone interact. energy: 0.805
local terms energy: -194.715884
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -42.642
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -237.237396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.237396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.237396 (E_RNA)
where:
Base-Base interactions energy: -100.265
where: short stacking energy: -45.365
Base-Backbone interact. energy: 0.010
local terms energy: -136.981901
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -40.391
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: 14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -944.317195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.317195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.317195 (E_RNA)
where:
Base-Base interactions energy: -652.769
where: short stacking energy: -281.805
Base-Backbone interact. energy: -1.005
local terms energy: -290.543614
where:
bonds (distance) C4'-P energy: -45.554
bonds (distance) P-C4' energy: -56.291
flat angles C4'-P-C4' energy: -61.595
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -83.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -958.302400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.302400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.302400 (E_RNA)
where:
Base-Base interactions energy: -664.934
where: short stacking energy: -285.907
Base-Backbone interact. energy: -1.798
local terms energy: -291.570945
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -58.496
flat angles P-C4'-P energy: -43.632
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: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -948.330680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.330680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.330680 (E_RNA)
where:
Base-Base interactions energy: -651.360
where: short stacking energy: -277.463
Base-Backbone interact. energy: -0.900
local terms energy: -296.070792
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -59.180
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -93.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -867.339163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.339163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.339163 (E_RNA)
where:
Base-Base interactions energy: -601.728
where: short stacking energy: -229.997
Base-Backbone interact. energy: -2.276
local terms energy: -263.335308
where:
bonds (distance) C4'-P energy: -52.279
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: -66.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -760.255597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.255597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.255597 (E_RNA)
where:
Base-Base interactions energy: -519.541
where: short stacking energy: -227.317
Base-Backbone interact. energy: -0.243
local terms energy: -240.471683
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -49.312
flat angles C4'-P-C4' energy: -63.079
flat angles P-C4'-P energy: -31.742
tors. eta vs tors. theta energy: -57.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -783.296205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.296205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.296205 (E_RNA)
where:
Base-Base interactions energy: -533.661
where: short stacking energy: -230.775
Base-Backbone interact. energy: -0.537
local terms energy: -249.098749
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -55.344
flat angles C4'-P-C4' energy: -48.308
flat angles P-C4'-P energy: -38.841
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: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -773.524896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.524896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.524896 (E_RNA)
where:
Base-Base interactions energy: -532.293
where: short stacking energy: -228.383
Base-Backbone interact. energy: -0.493
local terms energy: -240.738659
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -67.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -722.328137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.328137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.328137 (E_RNA)
where:
Base-Base interactions energy: -490.552
where: short stacking energy: -197.891
Base-Backbone interact. energy: -0.763
local terms energy: -231.012744
where:
bonds (distance) C4'-P energy: -44.161
bonds (distance) P-C4' energy: -40.751
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -32.717
tors. eta vs tors. theta energy: -60.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -451.208433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.208433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.208433 (E_RNA)
where:
Base-Base interactions energy: -275.165
where: short stacking energy: -138.620
Base-Backbone interact. energy: -1.147
local terms energy: -174.895688
where:
bonds (distance) C4'-P energy: -46.046
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -43.297
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -20.037
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: 171
Temperature: 1.350000
Total energy: -223.740839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.740839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.740839 (E_RNA)
where:
Base-Base interactions energy: -82.706
where: short stacking energy: -68.816
Base-Backbone interact. energy: -1.463
local terms energy: -139.571773
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: 6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -953.457062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.457062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.457062 (E_RNA)
where:
Base-Base interactions energy: -644.423
where: short stacking energy: -279.492
Base-Backbone interact. energy: 0.340
local terms energy: -309.373817
where:
bonds (distance) C4'-P energy: -56.301
bonds (distance) P-C4' energy: -56.417
flat angles C4'-P-C4' energy: -65.610
flat angles P-C4'-P energy: -41.868
tors. eta vs tors. theta energy: -89.177
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: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -936.573015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.573015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.573015 (E_RNA)
where:
Base-Base interactions energy: -641.952
where: short stacking energy: -279.744
Base-Backbone interact. energy: 2.497
local terms energy: -297.118200
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -58.873
flat angles C4'-P-C4' energy: -59.643
flat angles P-C4'-P energy: -42.080
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: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -919.936044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.936044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.936044 (E_RNA)
where:
Base-Base interactions energy: -634.976
where: short stacking energy: -268.924
Base-Backbone interact. energy: -1.358
local terms energy: -283.601708
where:
bonds (distance) C4'-P energy: -49.035
bonds (distance) P-C4' energy: -52.483
flat angles C4'-P-C4' energy: -62.307
flat angles P-C4'-P energy: -31.367
tors. eta vs tors. theta energy: -88.409
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: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -888.075091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.075091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.075091 (E_RNA)
where:
Base-Base interactions energy: -634.312
where: short stacking energy: -260.482
Base-Backbone interact. energy: 2.218
local terms energy: -255.980718
where:
bonds (distance) C4'-P energy: -41.839
bonds (distance) P-C4' energy: -38.200
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -77.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -808.625123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.625123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.625123 (E_RNA)
where:
Base-Base interactions energy: -547.191
where: short stacking energy: -231.213
Base-Backbone interact. energy: -1.000
local terms energy: -260.434056
where:
bonds (distance) C4'-P energy: -53.110
bonds (distance) P-C4' energy: -46.671
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -34.332
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: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -752.156826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.156826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.156826 (E_RNA)
where:
Base-Base interactions energy: -515.470
where: short stacking energy: -234.402
Base-Backbone interact. energy: -0.377
local terms energy: -236.310040
where:
bonds (distance) C4'-P energy: -46.326
bonds (distance) P-C4' energy: -47.541
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -54.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -724.056610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.056610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.056610 (E_RNA)
where:
Base-Base interactions energy: -484.690
where: short stacking energy: -215.700
Base-Backbone interact. energy: -0.170
local terms energy: -239.196754
where:
bonds (distance) C4'-P energy: -43.460
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -51.337
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -67.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -756.723151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.723151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.723151 (E_RNA)
where:
Base-Base interactions energy: -517.843
where: short stacking energy: -221.752
Base-Backbone interact. energy: -0.720
local terms energy: -238.160974
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -48.497
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -72.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -439.282684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.282684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.282684 (E_RNA)
where:
Base-Base interactions energy: -252.070
where: short stacking energy: -119.166
Base-Backbone interact. energy: -0.894
local terms energy: -186.318652
where:
bonds (distance) C4'-P energy: -43.532
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -41.265
flat angles P-C4'-P energy: -29.880
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -220.151704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.151704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.151704 (E_RNA)
where:
Base-Base interactions energy: -79.896
where: short stacking energy: -75.665
Base-Backbone interact. energy: 3.497
local terms energy: -143.753184
where:
bonds (distance) C4'-P energy: -42.367
bonds (distance) P-C4' energy: -53.348
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -5.676
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: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -960.050017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.050017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.050017 (E_RNA)
where:
Base-Base interactions energy: -654.101
where: short stacking energy: -286.071
Base-Backbone interact. energy: -0.871
local terms energy: -305.077809
where:
bonds (distance) C4'-P energy: -57.671
bonds (distance) P-C4' energy: -59.859
flat angles C4'-P-C4' energy: -56.079
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -92.288
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: 173
Temperature: 0.950000
Total energy: -927.073903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.073903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.073903 (E_RNA)
where:
Base-Base interactions energy: -655.209
where: short stacking energy: -283.947
Base-Backbone interact. energy: -0.437
local terms energy: -271.427850
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -87.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -931.655516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.655516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.655516 (E_RNA)
where:
Base-Base interactions energy: -644.622
where: short stacking energy: -279.052
Base-Backbone interact. energy: 0.128
local terms energy: -287.161102
where:
bonds (distance) C4'-P energy: -44.521
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -58.249
flat angles P-C4'-P energy: -43.741
tors. eta vs tors. theta energy: -90.187
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: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -889.227589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.227589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.227589 (E_RNA)
where:
Base-Base interactions energy: -629.207
where: short stacking energy: -248.960
Base-Backbone interact. energy: -0.046
local terms energy: -259.974946
where:
bonds (distance) C4'-P energy: -49.788
bonds (distance) P-C4' energy: -45.368
flat angles C4'-P-C4' energy: -55.582
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -72.619
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: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -794.602861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.602861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.602861 (E_RNA)
where:
Base-Base interactions energy: -543.128
where: short stacking energy: -223.196
Base-Backbone interact. energy: 1.087
local terms energy: -252.562201
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -52.809
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -67.587
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -758.813522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.813522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.813522 (E_RNA)
where:
Base-Base interactions energy: -507.023
where: short stacking energy: -201.149
Base-Backbone interact. energy: -1.247
local terms energy: -250.543346
where:
bonds (distance) C4'-P energy: -50.295
bonds (distance) P-C4' energy: -55.054
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -55.020
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: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -711.538895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.538895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.538895 (E_RNA)
where:
Base-Base interactions energy: -483.655
where: short stacking energy: -201.887
Base-Backbone interact. energy: 0.420
local terms energy: -228.304033
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -49.142
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -50.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -724.915090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.915090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.915090 (E_RNA)
where:
Base-Base interactions energy: -500.550
where: short stacking energy: -218.046
Base-Backbone interact. energy: -0.599
local terms energy: -223.765974
where:
bonds (distance) C4'-P energy: -43.806
bonds (distance) P-C4' energy: -44.410
flat angles C4'-P-C4' energy: -50.589
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -51.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -453.657290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.657290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.657290 (E_RNA)
where:
Base-Base interactions energy: -265.014
where: short stacking energy: -132.930
Base-Backbone interact. energy: -0.215
local terms energy: -188.428607
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -45.579
flat angles C4'-P-C4' energy: -43.076
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -24.502
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: 173
Temperature: 1.350000
Total energy: -222.122157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.122157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.122157 (E_RNA)
where:
Base-Base interactions energy: -82.170
where: short stacking energy: -55.524
Base-Backbone interact. energy: 1.445
local terms energy: -141.397152
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -25.467
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: 5.000
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: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -943.529429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.529429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.529429 (E_RNA)
where:
Base-Base interactions energy: -644.058
where: short stacking energy: -283.451
Base-Backbone interact. energy: -1.109
local terms energy: -298.361538
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -57.268
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -35.285
tors. eta vs tors. theta energy: -93.029
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -942.387427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.387427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.387427 (E_RNA)
where:
Base-Base interactions energy: -652.665
where: short stacking energy: -283.221
Base-Backbone interact. energy: -1.402
local terms energy: -288.320501
where:
bonds (distance) C4'-P energy: -50.496
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -58.380
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -85.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -927.609381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.609381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.609381 (E_RNA)
where:
Base-Base interactions energy: -638.821
where: short stacking energy: -277.765
Base-Backbone interact. energy: -1.114
local terms energy: -287.673938
where:
bonds (distance) C4'-P energy: -55.325
bonds (distance) P-C4' energy: -46.029
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -32.119
tors. eta vs tors. theta energy: -87.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -890.450818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.450818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.450818 (E_RNA)
where:
Base-Base interactions energy: -626.689
where: short stacking energy: -262.033
Base-Backbone interact. energy: 0.779
local terms energy: -264.540878
where:
bonds (distance) C4'-P energy: -55.593
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -55.985
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -71.241
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: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -830.599774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.599774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.599774 (E_RNA)
where:
Base-Base interactions energy: -562.802
where: short stacking energy: -241.228
Base-Backbone interact. energy: -0.460
local terms energy: -267.337970
where:
bonds (distance) C4'-P energy: -45.939
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -60.449
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -67.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -777.869534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.869534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.869534 (E_RNA)
where:
Base-Base interactions energy: -516.926
where: short stacking energy: -227.701
Base-Backbone interact. energy: 0.329
local terms energy: -261.272350
where:
bonds (distance) C4'-P energy: -48.666
bonds (distance) P-C4' energy: -51.525
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -62.742
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: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -705.988206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.988206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.988206 (E_RNA)
where:
Base-Base interactions energy: -475.597
where: short stacking energy: -198.485
Base-Backbone interact. energy: 0.650
local terms energy: -231.040769
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -52.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -710.197745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.197745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.197745 (E_RNA)
where:
Base-Base interactions energy: -480.007
where: short stacking energy: -198.679
Base-Backbone interact. energy: -0.744
local terms energy: -229.445972
where:
bonds (distance) C4'-P energy: -53.091
bonds (distance) P-C4' energy: -43.911
flat angles C4'-P-C4' energy: -52.869
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -58.958
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: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -446.264653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.264653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.264653 (E_RNA)
where:
Base-Base interactions energy: -248.086
where: short stacking energy: -132.260
Base-Backbone interact. energy: -0.709
local terms energy: -197.469631
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -43.733
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -26.880
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: 174
Temperature: 1.350000
Total energy: -220.573751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.573751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.573751 (E_RNA)
where:
Base-Base interactions energy: -71.409
where: short stacking energy: -59.527
Base-Backbone interact. energy: -1.651
local terms energy: -147.513715
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -40.615
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: 11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -968.445286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.445286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.445286 (E_RNA)
where:
Base-Base interactions energy: -668.853
where: short stacking energy: -283.404
Base-Backbone interact. energy: -0.654
local terms energy: -298.938193
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -93.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -945.815642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.815642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.815642 (E_RNA)
where:
Base-Base interactions energy: -646.223
where: short stacking energy: -275.966
Base-Backbone interact. energy: -0.768
local terms energy: -298.824417
where:
bonds (distance) C4'-P energy: -44.243
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -63.538
flat angles P-C4'-P energy: -48.894
tors. eta vs tors. theta energy: -90.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -949.184256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.184256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.184256 (E_RNA)
where:
Base-Base interactions energy: -647.576
where: short stacking energy: -273.272
Base-Backbone interact. energy: -0.226
local terms energy: -301.382640
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -52.823
flat angles C4'-P-C4' energy: -57.437
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -92.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -869.650357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.650357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.650357 (E_RNA)
where:
Base-Base interactions energy: -594.350
where: short stacking energy: -240.185
Base-Backbone interact. energy: 0.883
local terms energy: -276.183134
where:
bonds (distance) C4'-P energy: -51.344
bonds (distance) P-C4' energy: -54.065
flat angles C4'-P-C4' energy: -53.916
flat angles P-C4'-P energy: -43.661
tors. eta vs tors. theta energy: -73.198
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: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -793.361684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.361684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.361684 (E_RNA)
where:
Base-Base interactions energy: -540.904
where: short stacking energy: -215.539
Base-Backbone interact. energy: -0.394
local terms energy: -252.064380
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -58.737
flat angles C4'-P-C4' energy: -54.317
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -64.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -765.355811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.355811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.355811 (E_RNA)
where:
Base-Base interactions energy: -515.692
where: short stacking energy: -217.396
Base-Backbone interact. energy: 2.344
local terms energy: -252.007724
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -56.816
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -65.926
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: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -722.587546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.587546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.587546 (E_RNA)
where:
Base-Base interactions energy: -489.321
where: short stacking energy: -206.606
Base-Backbone interact. energy: -0.542
local terms energy: -232.725115
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -44.933
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -53.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -690.830318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.830318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.830318 (E_RNA)
where:
Base-Base interactions energy: -465.945
where: short stacking energy: -193.136
Base-Backbone interact. energy: -1.591
local terms energy: -223.294569
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -50.685
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -48.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -450.195436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.195436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.195436 (E_RNA)
where:
Base-Base interactions energy: -263.299
where: short stacking energy: -120.912
Base-Backbone interact. energy: -0.506
local terms energy: -186.391046
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -47.149
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -26.637
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -236.974199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.974199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.974199 (E_RNA)
where:
Base-Base interactions energy: -80.158
where: short stacking energy: -70.869
Base-Backbone interact. energy: 4.852
local terms energy: -161.668564
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -47.285
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: 4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -966.487047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.487047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.487047 (E_RNA)
where:
Base-Base interactions energy: -660.330
where: short stacking energy: -290.031
Base-Backbone interact. energy: -1.834
local terms energy: -304.322928
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -56.977
flat angles C4'-P-C4' energy: -62.711
flat angles P-C4'-P energy: -39.580
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: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -922.494261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.494261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.494261 (E_RNA)
where:
Base-Base interactions energy: -619.195
where: short stacking energy: -262.983
Base-Backbone interact. energy: -1.373
local terms energy: -301.926713
where:
bonds (distance) C4'-P energy: -61.949
bonds (distance) P-C4' energy: -59.957
flat angles C4'-P-C4' energy: -60.913
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -75.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -937.376447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.376447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.376447 (E_RNA)
where:
Base-Base interactions energy: -650.817
where: short stacking energy: -282.151
Base-Backbone interact. energy: -0.788
local terms energy: -285.771337
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -84.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -881.407018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.407018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.407018 (E_RNA)
where:
Base-Base interactions energy: -625.176
where: short stacking energy: -260.034
Base-Backbone interact. energy: 0.126
local terms energy: -256.357244
where:
bonds (distance) C4'-P energy: -52.231
bonds (distance) P-C4' energy: -51.827
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -30.760
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: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -819.363052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.363052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.363052 (E_RNA)
where:
Base-Base interactions energy: -537.317
where: short stacking energy: -241.105
Base-Backbone interact. energy: -0.409
local terms energy: -281.637303
where:
bonds (distance) C4'-P energy: -45.649
bonds (distance) P-C4' energy: -54.393
flat angles C4'-P-C4' energy: -62.020
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -70.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -766.297465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.297465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.297465 (E_RNA)
where:
Base-Base interactions energy: -524.714
where: short stacking energy: -212.228
Base-Backbone interact. energy: -0.322
local terms energy: -241.260977
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -39.719
flat angles C4'-P-C4' energy: -52.483
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -65.136
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: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -756.859829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.859829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.859829 (E_RNA)
where:
Base-Base interactions energy: -511.255
where: short stacking energy: -217.098
Base-Backbone interact. energy: -1.104
local terms energy: -244.500968
where:
bonds (distance) C4'-P energy: -49.866
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -52.636
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -60.636
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: 176
Temperature: 1.250000
Total energy: -700.056047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.056047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.056047 (E_RNA)
where:
Base-Base interactions energy: -495.672
where: short stacking energy: -200.563
Base-Backbone interact. energy: -0.538
local terms energy: -203.846471
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -29.271
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: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -497.621081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.621081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.621081 (E_RNA)
where:
Base-Base interactions energy: -296.722
where: short stacking energy: -138.498
Base-Backbone interact. energy: -0.131
local terms energy: -200.768084
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -54.070
flat angles C4'-P-C4' energy: -57.140
flat angles P-C4'-P energy: -28.833
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -226.853785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.853785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.853785 (E_RNA)
where:
Base-Base interactions energy: -84.196
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.336
local terms energy: -142.321489
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -40.847
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -956.664885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.664885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.664885 (E_RNA)
where:
Base-Base interactions energy: -668.202
where: short stacking energy: -293.108
Base-Backbone interact. energy: -0.546
local terms energy: -287.916165
where:
bonds (distance) C4'-P energy: -51.921
bonds (distance) P-C4' energy: -52.824
flat angles C4'-P-C4' energy: -61.783
flat angles P-C4'-P energy: -38.938
tors. eta vs tors. theta energy: -82.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -939.540636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.540636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.540636 (E_RNA)
where:
Base-Base interactions energy: -655.196
where: short stacking energy: -272.607
Base-Backbone interact. energy: -0.913
local terms energy: -283.431312
where:
bonds (distance) C4'-P energy: -47.503
bonds (distance) P-C4' energy: -54.542
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -90.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -932.152361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.152361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.152361 (E_RNA)
where:
Base-Base interactions energy: -652.126
where: short stacking energy: -274.873
Base-Backbone interact. energy: -0.398
local terms energy: -279.628261
where:
bonds (distance) C4'-P energy: -52.153
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -33.604
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: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -884.401096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.401096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.401096 (E_RNA)
where:
Base-Base interactions energy: -610.785
where: short stacking energy: -259.141
Base-Backbone interact. energy: -0.309
local terms energy: -273.306827
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -46.584
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -73.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -795.113393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.113393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.113393 (E_RNA)
where:
Base-Base interactions energy: -555.296
where: short stacking energy: -240.490
Base-Backbone interact. energy: -0.488
local terms energy: -239.329166
where:
bonds (distance) C4'-P energy: -46.471
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -61.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -770.047258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.047258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.047258 (E_RNA)
where:
Base-Base interactions energy: -521.165
where: short stacking energy: -216.218
Base-Backbone interact. energy: -1.836
local terms energy: -247.045781
where:
bonds (distance) C4'-P energy: -53.866
bonds (distance) P-C4' energy: -42.096
flat angles C4'-P-C4' energy: -49.137
flat angles P-C4'-P energy: -33.552
tors. eta vs tors. theta energy: -68.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -753.548820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.548820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.548820 (E_RNA)
where:
Base-Base interactions energy: -517.734
where: short stacking energy: -210.825
Base-Backbone interact. energy: -0.520
local terms energy: -235.294875
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -58.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -663.258551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.258551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.258551 (E_RNA)
where:
Base-Base interactions energy: -439.348
where: short stacking energy: -191.092
Base-Backbone interact. energy: -1.076
local terms energy: -222.834512
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -46.104
flat angles C4'-P-C4' energy: -48.087
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: -48.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -519.944025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.944025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.944025 (E_RNA)
where:
Base-Base interactions energy: -348.557
where: short stacking energy: -150.593
Base-Backbone interact. energy: -1.262
local terms energy: -170.125376
where:
bonds (distance) C4'-P energy: -29.693
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -44.672
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -32.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -227.840378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.840378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.840378 (E_RNA)
where:
Base-Base interactions energy: -68.199
where: short stacking energy: -53.385
Base-Backbone interact. energy: 4.758
local terms energy: -164.399384
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: 0.163
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: 178
Temperature: 0.900000
Total energy: -974.991425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.991425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.991425 (E_RNA)
where:
Base-Base interactions energy: -683.105
where: short stacking energy: -298.846
Base-Backbone interact. energy: 0.992
local terms energy: -292.878608
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -40.831
tors. eta vs tors. theta energy: -89.232
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: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -957.769884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.769884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.769884 (E_RNA)
where:
Base-Base interactions energy: -659.169
where: short stacking energy: -273.727
Base-Backbone interact. energy: -2.713
local terms energy: -295.888183
where:
bonds (distance) C4'-P energy: -53.150
bonds (distance) P-C4' energy: -50.959
flat angles C4'-P-C4' energy: -63.109
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -82.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -935.509140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.509140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.509140 (E_RNA)
where:
Base-Base interactions energy: -641.495
where: short stacking energy: -278.687
Base-Backbone interact. energy: -1.822
local terms energy: -292.192500
where:
bonds (distance) C4'-P energy: -60.596
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -82.612
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -900.285526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.285526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.285526 (E_RNA)
where:
Base-Base interactions energy: -636.412
where: short stacking energy: -258.928
Base-Backbone interact. energy: 6.144
local terms energy: -270.017835
where:
bonds (distance) C4'-P energy: -46.569
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -40.982
tors. eta vs tors. theta energy: -74.265
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: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -800.788045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.788045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.788045 (E_RNA)
where:
Base-Base interactions energy: -537.227
where: short stacking energy: -240.408
Base-Backbone interact. energy: -0.151
local terms energy: -263.410557
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -59.114
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -62.374
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: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -803.682591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.682591 (E_RNA)
where:
Base-Base interactions energy: -546.096
where: short stacking energy: -230.632
Base-Backbone interact. energy: 0.133
local terms energy: -257.719298
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -46.304
flat angles C4'-P-C4' energy: -50.340
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -69.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -746.603350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.603350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.603350 (E_RNA)
where:
Base-Base interactions energy: -511.224
where: short stacking energy: -211.053
Base-Backbone interact. energy: -0.019
local terms energy: -235.359746
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -52.697
flat angles C4'-P-C4' energy: -52.865
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -52.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -649.484888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.484888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.484888 (E_RNA)
where:
Base-Base interactions energy: -451.275
where: short stacking energy: -190.803
Base-Backbone interact. energy: -1.941
local terms energy: -196.268408
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -44.029
flat angles C4'-P-C4' energy: -45.375
flat angles P-C4'-P energy: -25.460
tors. eta vs tors. theta energy: -46.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -500.849369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.849369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.849369 (E_RNA)
where:
Base-Base interactions energy: -335.366
where: short stacking energy: -163.977
Base-Backbone interact. energy: 0.573
local terms energy: -166.056893
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -47.134
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -36.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -238.145544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.145544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.145544 (E_RNA)
where:
Base-Base interactions energy: -72.877
where: short stacking energy: -55.328
Base-Backbone interact. energy: 0.064
local terms energy: -165.331895
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -32.274
tors. eta vs tors. theta energy: -0.401
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -983.280240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.280240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.280240 (E_RNA)
where:
Base-Base interactions energy: -683.687
where: short stacking energy: -294.325
Base-Backbone interact. energy: -1.426
local terms energy: -298.167000
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -48.183
flat angles C4'-P-C4' energy: -68.614
flat angles P-C4'-P energy: -42.227
tors. eta vs tors. theta energy: -87.012
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: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -937.662505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.662505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.662505 (E_RNA)
where:
Base-Base interactions energy: -650.898
where: short stacking energy: -282.861
Base-Backbone interact. energy: -0.672
local terms energy: -286.092959
where:
bonds (distance) C4'-P energy: -38.590
bonds (distance) P-C4' energy: -57.562
flat angles C4'-P-C4' energy: -61.007
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -85.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -921.299138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.299138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.299138 (E_RNA)
where:
Base-Base interactions energy: -636.600
where: short stacking energy: -287.850
Base-Backbone interact. energy: 1.684
local terms energy: -286.383189
where:
bonds (distance) C4'-P energy: -45.161
bonds (distance) P-C4' energy: -55.921
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -87.529
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -890.614392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.614392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.614392 (E_RNA)
where:
Base-Base interactions energy: -629.962
where: short stacking energy: -251.932
Base-Backbone interact. energy: -0.560
local terms energy: -260.092460
where:
bonds (distance) C4'-P energy: -47.365
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -41.915
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: 179
Temperature: 1.100000
Total energy: -803.442001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.442001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.442001 (E_RNA)
where:
Base-Base interactions energy: -541.921
where: short stacking energy: -237.108
Base-Backbone interact. energy: -0.224
local terms energy: -261.296677
where:
bonds (distance) C4'-P energy: -47.048
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -67.680
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: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -787.379592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.379592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.379592 (E_RNA)
where:
Base-Base interactions energy: -529.227
where: short stacking energy: -235.024
Base-Backbone interact. energy: -0.496
local terms energy: -257.656448
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -35.629
tors. eta vs tors. theta energy: -64.418
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -747.740746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.740746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.740746 (E_RNA)
where:
Base-Base interactions energy: -509.491
where: short stacking energy: -211.336
Base-Backbone interact. energy: -1.016
local terms energy: -237.234006
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -52.661
flat angles P-C4'-P energy: -30.522
tors. eta vs tors. theta energy: -55.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -647.982565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.982565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.982565 (E_RNA)
where:
Base-Base interactions energy: -435.230
where: short stacking energy: -182.879
Base-Backbone interact. energy: -0.115
local terms energy: -212.636985
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -49.795
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -48.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -496.711610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.711610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.711610 (E_RNA)
where:
Base-Base interactions energy: -301.849
where: short stacking energy: -139.949
Base-Backbone interact. energy: -0.011
local terms energy: -194.851225
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -44.582
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -32.096
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: 179
Temperature: 1.350000
Total energy: -228.047171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.047171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.047171 (E_RNA)
where:
Base-Base interactions energy: -86.961
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.833
local terms energy: -140.253201
where:
bonds (distance) C4'-P energy: -42.982
bonds (distance) P-C4' energy: -45.532
flat angles C4'-P-C4' energy: -40.590
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: 8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -964.879878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.879878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.879878 (E_RNA)
where:
Base-Base interactions energy: -661.862
where: short stacking energy: -281.791
Base-Backbone interact. energy: 0.310
local terms energy: -303.327914
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -59.737
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -44.595
tors. eta vs tors. theta energy: -87.259
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: 180
Temperature: 0.950000
Total energy: -966.438043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.438043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.438043 (E_RNA)
where:
Base-Base interactions energy: -662.605
where: short stacking energy: -290.773
Base-Backbone interact. energy: -0.816
local terms energy: -303.017352
where:
bonds (distance) C4'-P energy: -55.730
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -60.993
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -94.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -939.316408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.316408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.316408 (E_RNA)
where:
Base-Base interactions energy: -652.941
where: short stacking energy: -287.291
Base-Backbone interact. energy: -1.476
local terms energy: -284.899909
where:
bonds (distance) C4'-P energy: -49.889
bonds (distance) P-C4' energy: -50.186
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -33.652
tors. eta vs tors. theta energy: -87.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -881.827060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.827060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.827060 (E_RNA)
where:
Base-Base interactions energy: -614.776
where: short stacking energy: -261.086
Base-Backbone interact. energy: -0.673
local terms energy: -266.377881
where:
bonds (distance) C4'-P energy: -51.740
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -61.240
flat angles P-C4'-P energy: -30.758
tors. eta vs tors. theta energy: -75.924
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -813.030685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.030685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.030685 (E_RNA)
where:
Base-Base interactions energy: -543.896
where: short stacking energy: -234.727
Base-Backbone interact. energy: 0.450
local terms energy: -269.584077
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -70.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -763.270208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.270208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.270208 (E_RNA)
where:
Base-Base interactions energy: -538.830
where: short stacking energy: -226.535
Base-Backbone interact. energy: -0.412
local terms energy: -224.027742
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -44.111
flat angles C4'-P-C4' energy: -47.927
flat angles P-C4'-P energy: -30.961
tors. eta vs tors. theta energy: -55.790
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -758.971658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.971658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.971658 (E_RNA)
where:
Base-Base interactions energy: -519.665
where: short stacking energy: -224.753
Base-Backbone interact. energy: -0.113
local terms energy: -239.193679
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -51.238
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -61.897
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -608.015854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.015854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.015854 (E_RNA)
where:
Base-Base interactions energy: -399.897
where: short stacking energy: -174.464
Base-Backbone interact. energy: 2.721
local terms energy: -210.839244
where:
bonds (distance) C4'-P energy: -49.031
bonds (distance) P-C4' energy: -46.802
flat angles C4'-P-C4' energy: -50.872
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -505.990873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.990873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.990873 (E_RNA)
where:
Base-Base interactions energy: -308.840
where: short stacking energy: -132.274
Base-Backbone interact. energy: 1.647
local terms energy: -198.798347
where:
bonds (distance) C4'-P energy: -46.562
bonds (distance) P-C4' energy: -44.347
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: -28.861
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: 180
Temperature: 1.350000
Total energy: -235.315722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.315722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.315722 (E_RNA)
where:
Base-Base interactions energy: -92.729
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.434
local terms energy: -142.152806
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -43.388
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -960.183691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.183691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.183691 (E_RNA)
where:
Base-Base interactions energy: -666.291
where: short stacking energy: -292.716
Base-Backbone interact. energy: -0.437
local terms energy: -293.456313
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -56.287
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -89.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -953.957916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.957916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.957916 (E_RNA)
where:
Base-Base interactions energy: -663.877
where: short stacking energy: -289.049
Base-Backbone interact. energy: -2.222
local terms energy: -287.858088
where:
bonds (distance) C4'-P energy: -56.186
bonds (distance) P-C4' energy: -44.574
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -89.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -954.104171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.104171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.104171 (E_RNA)
where:
Base-Base interactions energy: -641.753
where: short stacking energy: -283.009
Base-Backbone interact. energy: -0.191
local terms energy: -312.160335
where:
bonds (distance) C4'-P energy: -56.163
bonds (distance) P-C4' energy: -57.019
flat angles C4'-P-C4' energy: -58.510
flat angles P-C4'-P energy: -49.308
tors. eta vs tors. theta energy: -91.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -880.650799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.650799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.650799 (E_RNA)
where:
Base-Base interactions energy: -626.693
where: short stacking energy: -254.292
Base-Backbone interact. energy: -1.554
local terms energy: -252.403792
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -63.384
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -74.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -816.754465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.754465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.754465 (E_RNA)
where:
Base-Base interactions energy: -558.041
where: short stacking energy: -253.249
Base-Backbone interact. energy: -1.608
local terms energy: -257.105679
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -54.845
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -68.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -767.789583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.789583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.789583 (E_RNA)
where:
Base-Base interactions energy: -531.504
where: short stacking energy: -219.339
Base-Backbone interact. energy: -0.570
local terms energy: -235.715712
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -45.679
flat angles C4'-P-C4' energy: -57.876
flat angles P-C4'-P energy: -35.843
tors. eta vs tors. theta energy: -57.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -757.091369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.091369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.091369 (E_RNA)
where:
Base-Base interactions energy: -517.634
where: short stacking energy: -226.425
Base-Backbone interact. energy: -0.083
local terms energy: -239.374382
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -44.847
flat angles P-C4'-P energy: -40.967
tors. eta vs tors. theta energy: -67.094
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: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -594.224894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.224894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.224894 (E_RNA)
where:
Base-Base interactions energy: -386.722
where: short stacking energy: -164.437
Base-Backbone interact. energy: 0.043
local terms energy: -207.545774
where:
bonds (distance) C4'-P energy: -46.827
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -466.935685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.935685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.935685 (E_RNA)
where:
Base-Base interactions energy: -289.636
where: short stacking energy: -140.688
Base-Backbone interact. energy: 3.141
local terms energy: -180.440747
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -45.495
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -23.271
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: 181
Temperature: 1.350000
Total energy: -220.971655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.971655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.971655 (E_RNA)
where:
Base-Base interactions energy: -69.289
where: short stacking energy: -50.311
Base-Backbone interact. energy: -0.634
local terms energy: -151.048019
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -54.896
flat angles C4'-P-C4' energy: -45.589
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: 4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -961.842766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.842766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.842766 (E_RNA)
where:
Base-Base interactions energy: -672.338
where: short stacking energy: -284.675
Base-Backbone interact. energy: -1.911
local terms energy: -287.593337
where:
bonds (distance) C4'-P energy: -51.418
bonds (distance) P-C4' energy: -56.344
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -82.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -947.308558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.308558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.308558 (E_RNA)
where:
Base-Base interactions energy: -658.394
where: short stacking energy: -277.282
Base-Backbone interact. energy: -0.659
local terms energy: -288.255635
where:
bonds (distance) C4'-P energy: -50.052
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -82.932
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -932.064845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.064845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.064845 (E_RNA)
where:
Base-Base interactions energy: -633.891
where: short stacking energy: -270.468
Base-Backbone interact. energy: -1.528
local terms energy: -296.645546
where:
bonds (distance) C4'-P energy: -56.418
bonds (distance) P-C4' energy: -50.507
flat angles C4'-P-C4' energy: -65.945
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -82.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -872.211784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.211784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.211784 (E_RNA)
where:
Base-Base interactions energy: -601.134
where: short stacking energy: -262.276
Base-Backbone interact. energy: 0.255
local terms energy: -271.332565
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -46.575
flat angles C4'-P-C4' energy: -55.355
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -82.049
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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -807.806888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.806888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.806888 (E_RNA)
where:
Base-Base interactions energy: -545.576
where: short stacking energy: -239.771
Base-Backbone interact. energy: -0.411
local terms energy: -261.820136
where:
bonds (distance) C4'-P energy: -49.732
bonds (distance) P-C4' energy: -38.558
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -45.621
tors. eta vs tors. theta energy: -68.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -781.848421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.848421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.848421 (E_RNA)
where:
Base-Base interactions energy: -549.989
where: short stacking energy: -227.994
Base-Backbone interact. energy: -0.131
local terms energy: -231.728443
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -55.347
flat angles P-C4'-P energy: -29.934
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: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -789.794715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.794715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.794715 (E_RNA)
where:
Base-Base interactions energy: -536.377
where: short stacking energy: -232.306
Base-Backbone interact. energy: -0.545
local terms energy: -252.873394
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -56.489
flat angles P-C4'-P energy: -34.624
tors. eta vs tors. theta energy: -62.476
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: 182
Temperature: 1.250000
Total energy: -554.260597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.260597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.260597 (E_RNA)
where:
Base-Base interactions energy: -363.590
where: short stacking energy: -153.521
Base-Backbone interact. energy: 2.727
local terms energy: -193.396991
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -52.239
flat angles C4'-P-C4' energy: -50.150
flat angles P-C4'-P energy: -29.088
tors. eta vs tors. theta energy: -28.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -459.772845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.772845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.772845 (E_RNA)
where:
Base-Base interactions energy: -278.242
where: short stacking energy: -134.335
Base-Backbone interact. energy: -0.596
local terms energy: -180.935163
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -41.165
flat angles C4'-P-C4' energy: -44.269
flat angles P-C4'-P energy: -30.463
tors. eta vs tors. theta energy: -30.107
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: 182
Temperature: 1.350000
Total energy: -227.414030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.414030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.414030 (E_RNA)
where:
Base-Base interactions energy: -66.198
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.101
local terms energy: -161.114708
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: 10.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -957.048545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.048545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.048545 (E_RNA)
where:
Base-Base interactions energy: -663.259
where: short stacking energy: -287.165
Base-Backbone interact. energy: 0.581
local terms energy: -294.369869
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -56.729
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -41.727
tors. eta vs tors. theta energy: -90.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -952.425873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.425873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.425873 (E_RNA)
where:
Base-Base interactions energy: -661.517
where: short stacking energy: -285.472
Base-Backbone interact. energy: 1.149
local terms energy: -292.058042
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -60.076
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -84.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -929.706198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.706198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.706198 (E_RNA)
where:
Base-Base interactions energy: -649.654
where: short stacking energy: -272.716
Base-Backbone interact. energy: -0.629
local terms energy: -279.423017
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -50.663
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -90.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -894.854711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.854711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.854711 (E_RNA)
where:
Base-Base interactions energy: -625.318
where: short stacking energy: -263.242
Base-Backbone interact. energy: 2.668
local terms energy: -272.205422
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -75.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -814.923513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.923513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.923513 (E_RNA)
where:
Base-Base interactions energy: -536.640
where: short stacking energy: -242.607
Base-Backbone interact. energy: -0.713
local terms energy: -277.570722
where:
bonds (distance) C4'-P energy: -56.059
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -59.721
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -72.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -796.474893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.474893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.474893 (E_RNA)
where:
Base-Base interactions energy: -552.493
where: short stacking energy: -245.584
Base-Backbone interact. energy: -0.989
local terms energy: -242.992502
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -43.796
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -75.262
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: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -753.695365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.695365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.695365 (E_RNA)
where:
Base-Base interactions energy: -530.886
where: short stacking energy: -226.177
Base-Backbone interact. energy: 2.584
local terms energy: -225.394009
where:
bonds (distance) C4'-P energy: -42.904
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -63.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -544.916127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.916127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.916127 (E_RNA)
where:
Base-Base interactions energy: -327.173
where: short stacking energy: -155.047
Base-Backbone interact. energy: 1.654
local terms energy: -219.397012
where:
bonds (distance) C4'-P energy: -47.296
bonds (distance) P-C4' energy: -54.585
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -40.276
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -524.328997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.328997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.328997 (E_RNA)
where:
Base-Base interactions energy: -334.232
where: short stacking energy: -147.964
Base-Backbone interact. energy: -1.304
local terms energy: -188.793488
where:
bonds (distance) C4'-P energy: -45.147
bonds (distance) P-C4' energy: -41.457
flat angles C4'-P-C4' energy: -43.049
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -33.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -224.812504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.812504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.812504 (E_RNA)
where:
Base-Base interactions energy: -75.463
where: short stacking energy: -67.263
Base-Backbone interact. energy: -1.315
local terms energy: -148.034558
where:
bonds (distance) C4'-P energy: -42.226
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -960.068181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.068181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.068181 (E_RNA)
where:
Base-Base interactions energy: -670.852
where: short stacking energy: -288.906
Base-Backbone interact. energy: -1.366
local terms energy: -287.849585
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -53.426
flat angles C4'-P-C4' energy: -60.780
flat angles P-C4'-P energy: -41.325
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: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -940.389778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.389778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.389778 (E_RNA)
where:
Base-Base interactions energy: -646.844
where: short stacking energy: -277.132
Base-Backbone interact. energy: -0.689
local terms energy: -292.857167
where:
bonds (distance) C4'-P energy: -42.435
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -85.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -914.602964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.602964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.602964 (E_RNA)
where:
Base-Base interactions energy: -638.645
where: short stacking energy: -274.818
Base-Backbone interact. energy: -0.280
local terms energy: -275.677926
where:
bonds (distance) C4'-P energy: -41.629
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -57.261
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -83.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -911.825336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.825336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.825336 (E_RNA)
where:
Base-Base interactions energy: -635.689
where: short stacking energy: -273.817
Base-Backbone interact. energy: 0.466
local terms energy: -276.602463
where:
bonds (distance) C4'-P energy: -49.914
bonds (distance) P-C4' energy: -54.776
flat angles C4'-P-C4' energy: -52.930
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -84.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -794.709908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.709908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.709908 (E_RNA)
where:
Base-Base interactions energy: -555.215
where: short stacking energy: -240.837
Base-Backbone interact. energy: 0.928
local terms energy: -240.422992
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -49.959
flat angles C4'-P-C4' energy: -53.398
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -68.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -784.218192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.218192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.218192 (E_RNA)
where:
Base-Base interactions energy: -524.490
where: short stacking energy: -208.479
Base-Backbone interact. energy: 7.378
local terms energy: -267.106090
where:
bonds (distance) C4'-P energy: -57.649
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -50.545
flat angles P-C4'-P energy: -37.214
tors. eta vs tors. theta energy: -65.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -770.025322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.025322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.025322 (E_RNA)
where:
Base-Base interactions energy: -539.242
where: short stacking energy: -215.878
Base-Backbone interact. energy: 1.005
local terms energy: -231.787838
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -49.099
flat angles C4'-P-C4' energy: -44.184
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -70.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -559.109635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.109635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.109635 (E_RNA)
where:
Base-Base interactions energy: -345.067
where: short stacking energy: -160.953
Base-Backbone interact. energy: -0.941
local terms energy: -213.101475
where:
bonds (distance) C4'-P energy: -56.975
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -50.578
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -38.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -507.769416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.769416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.769416 (E_RNA)
where:
Base-Base interactions energy: -318.574
where: short stacking energy: -135.623
Base-Backbone interact. energy: 0.362
local terms energy: -189.558295
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -42.006
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -241.776784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.776784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.776784 (E_RNA)
where:
Base-Base interactions energy: -81.379
where: short stacking energy: -80.777
Base-Backbone interact. energy: -1.276
local terms energy: -159.121851
where:
bonds (distance) C4'-P energy: -49.177
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -946.208132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.208132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.208132 (E_RNA)
where:
Base-Base interactions energy: -638.035
where: short stacking energy: -271.770
Base-Backbone interact. energy: -2.119
local terms energy: -306.054150
where:
bonds (distance) C4'-P energy: -62.472
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -42.638
tors. eta vs tors. theta energy: -86.760
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: 185
Temperature: 0.950000
Total energy: -941.767338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.767338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.767338 (E_RNA)
where:
Base-Base interactions energy: -637.981
where: short stacking energy: -277.032
Base-Backbone interact. energy: -2.054
local terms energy: -301.731782
where:
bonds (distance) C4'-P energy: -54.233
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -56.215
flat angles P-C4'-P energy: -44.621
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -964.839037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.839037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.839037 (E_RNA)
where:
Base-Base interactions energy: -668.522
where: short stacking energy: -279.565
Base-Backbone interact. energy: -1.682
local terms energy: -294.634604
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -56.072
flat angles C4'-P-C4' energy: -58.877
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -88.776
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: 185
Temperature: 1.050000
Total energy: -856.371368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.371368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.371368 (E_RNA)
where:
Base-Base interactions energy: -581.899
where: short stacking energy: -245.082
Base-Backbone interact. energy: -1.041
local terms energy: -273.431570
where:
bonds (distance) C4'-P energy: -54.068
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -50.734
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -77.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -807.313253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.313253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.313253 (E_RNA)
where:
Base-Base interactions energy: -550.369
where: short stacking energy: -258.666
Base-Backbone interact. energy: -0.299
local terms energy: -256.645560
where:
bonds (distance) C4'-P energy: -47.197
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -71.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -779.325071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.325071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.325071 (E_RNA)
where:
Base-Base interactions energy: -540.382
where: short stacking energy: -225.591
Base-Backbone interact. energy: -1.071
local terms energy: -237.872714
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -49.122
flat angles C4'-P-C4' energy: -58.872
flat angles P-C4'-P energy: -31.152
tors. eta vs tors. theta energy: -63.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -744.936086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.936086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.936086 (E_RNA)
where:
Base-Base interactions energy: -512.138
where: short stacking energy: -222.236
Base-Backbone interact. energy: -0.590
local terms energy: -232.207954
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -58.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -555.653477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.653477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.653477 (E_RNA)
where:
Base-Base interactions energy: -361.969
where: short stacking energy: -148.576
Base-Backbone interact. energy: -0.852
local terms energy: -192.833088
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -33.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -483.424077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.424077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.424077 (E_RNA)
where:
Base-Base interactions energy: -286.206
where: short stacking energy: -121.757
Base-Backbone interact. energy: 1.283
local terms energy: -198.500886
where:
bonds (distance) C4'-P energy: -57.258
bonds (distance) P-C4' energy: -51.854
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -228.809687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.809687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.809687 (E_RNA)
where:
Base-Base interactions energy: -83.149
where: short stacking energy: -75.535
Base-Backbone interact. energy: 0.441
local terms energy: -146.100935
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -58.035
flat angles C4'-P-C4' energy: -40.690
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: 7.332
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: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -959.468269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.468269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.468269 (E_RNA)
where:
Base-Base interactions energy: -668.788
where: short stacking energy: -282.898
Base-Backbone interact. energy: -0.685
local terms energy: -289.995639
where:
bonds (distance) C4'-P energy: -55.320
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -82.338
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: 186
Temperature: 0.950000
Total energy: -911.953530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.953530 (E_RNA)
where:
Base-Base interactions energy: -616.824
where: short stacking energy: -267.551
Base-Backbone interact. energy: -1.974
local terms energy: -293.156075
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -79.680
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: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -924.413083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.413083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.413083 (E_RNA)
where:
Base-Base interactions energy: -648.332
where: short stacking energy: -272.080
Base-Backbone interact. energy: -1.484
local terms energy: -274.597077
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -53.595
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -83.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -867.868823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.868823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.868823 (E_RNA)
where:
Base-Base interactions energy: -610.529
where: short stacking energy: -255.410
Base-Backbone interact. energy: 0.262
local terms energy: -257.601439
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -54.305
flat angles P-C4'-P energy: -38.617
tors. eta vs tors. theta energy: -71.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -820.870049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.870049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.870049 (E_RNA)
where:
Base-Base interactions energy: -559.402
where: short stacking energy: -249.938
Base-Backbone interact. energy: -0.719
local terms energy: -260.748923
where:
bonds (distance) C4'-P energy: -57.451
bonds (distance) P-C4' energy: -40.354
flat angles C4'-P-C4' energy: -46.202
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -73.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -790.794089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.794089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.794089 (E_RNA)
where:
Base-Base interactions energy: -543.771
where: short stacking energy: -232.479
Base-Backbone interact. energy: -0.117
local terms energy: -246.906842
where:
bonds (distance) C4'-P energy: -38.031
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -51.443
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -67.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -741.698218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.698218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.698218 (E_RNA)
where:
Base-Base interactions energy: -492.480
where: short stacking energy: -200.985
Base-Backbone interact. energy: -0.279
local terms energy: -248.939389
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -49.904
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -52.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -609.976498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.976498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.976498 (E_RNA)
where:
Base-Base interactions energy: -401.694
where: short stacking energy: -156.870
Base-Backbone interact. energy: -1.057
local terms energy: -207.224954
where:
bonds (distance) C4'-P energy: -48.241
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -33.279
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: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -540.014709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.014709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.014709 (E_RNA)
where:
Base-Base interactions energy: -353.460
where: short stacking energy: -166.983
Base-Backbone interact. energy: -0.690
local terms energy: -185.865278
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -49.354
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -49.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -231.610953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.610953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.610953 (E_RNA)
where:
Base-Base interactions energy: -86.708
where: short stacking energy: -49.189
Base-Backbone interact. energy: -1.840
local terms energy: -143.062843
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -48.966
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: 15.533
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -947.863735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.863735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.863735 (E_RNA)
where:
Base-Base interactions energy: -672.276
where: short stacking energy: -279.042
Base-Backbone interact. energy: -0.879
local terms energy: -274.708335
where:
bonds (distance) C4'-P energy: -45.056
bonds (distance) P-C4' energy: -57.367
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -81.235
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: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -945.691180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.691180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.691180 (E_RNA)
where:
Base-Base interactions energy: -649.170
where: short stacking energy: -279.569
Base-Backbone interact. energy: -0.714
local terms energy: -295.807747
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: -87.130
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: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -879.594323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.594323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.594323 (E_RNA)
where:
Base-Base interactions energy: -603.468
where: short stacking energy: -273.032
Base-Backbone interact. energy: -0.066
local terms energy: -276.059876
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -65.122
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: -83.677
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -870.574221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.574221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.574221 (E_RNA)
where:
Base-Base interactions energy: -593.411
where: short stacking energy: -255.122
Base-Backbone interact. energy: -2.002
local terms energy: -275.160490
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -55.294
flat angles C4'-P-C4' energy: -53.095
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -74.535
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: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -797.199567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.199567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.199567 (E_RNA)
where:
Base-Base interactions energy: -537.114
where: short stacking energy: -234.376
Base-Backbone interact. energy: -0.219
local terms energy: -259.867284
where:
bonds (distance) C4'-P energy: -51.499
bonds (distance) P-C4' energy: -55.339
flat angles C4'-P-C4' energy: -49.699
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -66.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -760.112373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.112373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.112373 (E_RNA)
where:
Base-Base interactions energy: -507.705
where: short stacking energy: -220.964
Base-Backbone interact. energy: 0.293
local terms energy: -252.700763
where:
bonds (distance) C4'-P energy: -52.471
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -57.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -755.835130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.835130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.835130 (E_RNA)
where:
Base-Base interactions energy: -513.339
where: short stacking energy: -224.314
Base-Backbone interact. energy: -0.567
local terms energy: -241.928354
where:
bonds (distance) C4'-P energy: -48.960
bonds (distance) P-C4' energy: -45.077
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -40.437
tors. eta vs tors. theta energy: -54.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -599.999216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.999216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.999216 (E_RNA)
where:
Base-Base interactions energy: -395.524
where: short stacking energy: -161.270
Base-Backbone interact. energy: -0.919
local terms energy: -203.555904
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -45.786
flat angles P-C4'-P energy: -31.134
tors. eta vs tors. theta energy: -42.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -477.705792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.705792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.705792 (E_RNA)
where:
Base-Base interactions energy: -296.766
where: short stacking energy: -137.646
Base-Backbone interact. energy: 0.165
local terms energy: -181.105545
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -45.822
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -224.556141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.556141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.556141 (E_RNA)
where:
Base-Base interactions energy: -81.829
where: short stacking energy: -72.228
Base-Backbone interact. energy: 0.236
local terms energy: -142.963673
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -950.113701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.113701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.113701 (E_RNA)
where:
Base-Base interactions energy: -639.954
where: short stacking energy: -278.376
Base-Backbone interact. energy: 0.820
local terms energy: -310.979575
where:
bonds (distance) C4'-P energy: -55.194
bonds (distance) P-C4' energy: -56.242
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -44.539
tors. eta vs tors. theta energy: -92.486
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: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -951.165002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.165002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.165002 (E_RNA)
where:
Base-Base interactions energy: -668.314
where: short stacking energy: -280.396
Base-Backbone interact. energy: -1.013
local terms energy: -281.837750
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -53.989
flat angles C4'-P-C4' energy: -62.103
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -81.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -885.694984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.694984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.694984 (E_RNA)
where:
Base-Base interactions energy: -630.971
where: short stacking energy: -255.170
Base-Backbone interact. energy: -0.926
local terms energy: -253.798753
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -53.013
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -70.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -904.252257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.252257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.252257 (E_RNA)
where:
Base-Base interactions energy: -645.395
where: short stacking energy: -267.534
Base-Backbone interact. energy: -0.774
local terms energy: -258.083593
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -56.291
flat angles P-C4'-P energy: -37.133
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: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -800.540359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.540359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.540359 (E_RNA)
where:
Base-Base interactions energy: -538.165
where: short stacking energy: -236.543
Base-Backbone interact. energy: -0.749
local terms energy: -261.625581
where:
bonds (distance) C4'-P energy: -45.152
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -55.013
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -69.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -788.508445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.508445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.508445 (E_RNA)
where:
Base-Base interactions energy: -529.554
where: short stacking energy: -231.158
Base-Backbone interact. energy: -1.497
local terms energy: -257.456710
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -47.322
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -65.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -768.091729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.091729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.091729 (E_RNA)
where:
Base-Base interactions energy: -544.293
where: short stacking energy: -236.137
Base-Backbone interact. energy: -2.544
local terms energy: -221.254012
where:
bonds (distance) C4'-P energy: -35.347
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -49.588
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: -63.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -613.072382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.072382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.072382 (E_RNA)
where:
Base-Base interactions energy: -405.017
where: short stacking energy: -173.935
Base-Backbone interact. energy: 0.098
local terms energy: -208.153458
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -34.973
flat angles C4'-P-C4' energy: -50.910
flat angles P-C4'-P energy: -28.696
tors. eta vs tors. theta energy: -41.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -483.978452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.978452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.978452 (E_RNA)
where:
Base-Base interactions energy: -291.753
where: short stacking energy: -144.741
Base-Backbone interact. energy: 0.541
local terms energy: -192.766294
where:
bonds (distance) C4'-P energy: -44.514
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -43.692
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -40.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -219.121341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.121341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.121341 (E_RNA)
where:
Base-Base interactions energy: -80.472
where: short stacking energy: -46.613
Base-Backbone interact. energy: -1.369
local terms energy: -137.281240
where:
bonds (distance) C4'-P energy: -38.511
bonds (distance) P-C4' energy: -51.897
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: 14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -964.041594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.041594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.041594 (E_RNA)
where:
Base-Base interactions energy: -672.018
where: short stacking energy: -288.399
Base-Backbone interact. energy: -1.091
local terms energy: -290.932705
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -61.394
flat angles P-C4'-P energy: -33.949
tors. eta vs tors. theta energy: -84.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -935.897044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.897044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.897044 (E_RNA)
where:
Base-Base interactions energy: -658.815
where: short stacking energy: -280.188
Base-Backbone interact. energy: -2.578
local terms energy: -274.504203
where:
bonds (distance) C4'-P energy: -46.522
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -55.482
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -85.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -872.239388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.239388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.239388 (E_RNA)
where:
Base-Base interactions energy: -601.137
where: short stacking energy: -266.135
Base-Backbone interact. energy: -1.311
local terms energy: -269.790988
where:
bonds (distance) C4'-P energy: -43.724
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -51.160
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: -82.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -894.058882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.058882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.058882 (E_RNA)
where:
Base-Base interactions energy: -625.279
where: short stacking energy: -262.938
Base-Backbone interact. energy: -1.083
local terms energy: -267.697280
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -60.805
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -79.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -792.416329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.416329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.416329 (E_RNA)
where:
Base-Base interactions energy: -528.062
where: short stacking energy: -223.718
Base-Backbone interact. energy: 1.303
local terms energy: -265.657652
where:
bonds (distance) C4'-P energy: -52.398
bonds (distance) P-C4' energy: -55.034
flat angles C4'-P-C4' energy: -58.086
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -64.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -771.379516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.379516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.379516 (E_RNA)
where:
Base-Base interactions energy: -512.911
where: short stacking energy: -219.903
Base-Backbone interact. energy: -0.341
local terms energy: -258.127625
where:
bonds (distance) C4'-P energy: -50.384
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -49.332
flat angles P-C4'-P energy: -40.301
tors. eta vs tors. theta energy: -61.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -782.741582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.741582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.741582 (E_RNA)
where:
Base-Base interactions energy: -534.183
where: short stacking energy: -232.178
Base-Backbone interact. energy: -0.192
local terms energy: -248.366448
where:
bonds (distance) C4'-P energy: -48.267
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -47.050
flat angles P-C4'-P energy: -40.007
tors. eta vs tors. theta energy: -62.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -583.866360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.866360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.866360 (E_RNA)
where:
Base-Base interactions energy: -362.079
where: short stacking energy: -160.219
Base-Backbone interact. energy: 0.443
local terms energy: -222.230460
where:
bonds (distance) C4'-P energy: -54.970
bonds (distance) P-C4' energy: -44.269
flat angles C4'-P-C4' energy: -51.152
flat angles P-C4'-P energy: -35.628
tors. eta vs tors. theta energy: -36.212
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: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -483.643977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.643977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.643977 (E_RNA)
where:
Base-Base interactions energy: -293.138
where: short stacking energy: -139.852
Base-Backbone interact. energy: 0.657
local terms energy: -191.163335
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -49.116
flat angles C4'-P-C4' energy: -40.565
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: -33.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -228.466775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.466775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.466775 (E_RNA)
where:
Base-Base interactions energy: -79.637
where: short stacking energy: -60.582
Base-Backbone interact. energy: 0.071
local terms energy: -148.900803
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: 7.678
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: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -965.559585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.559585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.559585 (E_RNA)
where:
Base-Base interactions energy: -669.473
where: short stacking energy: -284.855
Base-Backbone interact. energy: -0.615
local terms energy: -295.471585
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -64.954
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -84.523
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: 190
Temperature: 0.950000
Total energy: -939.986529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.986529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.986529 (E_RNA)
where:
Base-Base interactions energy: -646.306
where: short stacking energy: -263.137
Base-Backbone interact. energy: -0.487
local terms energy: -293.193449
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -43.360
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: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -918.144170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.144170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.144170 (E_RNA)
where:
Base-Base interactions energy: -644.357
where: short stacking energy: -272.717
Base-Backbone interact. energy: -0.763
local terms energy: -273.023287
where:
bonds (distance) C4'-P energy: -50.074
bonds (distance) P-C4' energy: -49.221
flat angles C4'-P-C4' energy: -53.232
flat angles P-C4'-P energy: -40.820
tors. eta vs tors. theta energy: -79.675
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: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -847.816133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.816133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.816133 (E_RNA)
where:
Base-Base interactions energy: -582.038
where: short stacking energy: -248.543
Base-Backbone interact. energy: -1.700
local terms energy: -264.078283
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -75.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -847.666275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.666275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.666275 (E_RNA)
where:
Base-Base interactions energy: -568.818
where: short stacking energy: -247.465
Base-Backbone interact. energy: -1.856
local terms energy: -276.993066
where:
bonds (distance) C4'-P energy: -45.823
bonds (distance) P-C4' energy: -57.461
flat angles C4'-P-C4' energy: -58.482
flat angles P-C4'-P energy: -44.588
tors. eta vs tors. theta energy: -70.639
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -791.524705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.524705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.524705 (E_RNA)
where:
Base-Base interactions energy: -553.287
where: short stacking energy: -227.508
Base-Backbone interact. energy: 1.587
local terms energy: -239.824054
where:
bonds (distance) C4'-P energy: -47.757
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: -58.726
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: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -757.073067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.073067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.073067 (E_RNA)
where:
Base-Base interactions energy: -514.873
where: short stacking energy: -218.508
Base-Backbone interact. energy: -0.894
local terms energy: -241.306331
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -52.404
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -63.991
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: 190
Temperature: 1.250000
Total energy: -620.571537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.571537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.571537 (E_RNA)
where:
Base-Base interactions energy: -409.460
where: short stacking energy: -179.318
Base-Backbone interact. energy: -2.756
local terms energy: -208.355614
where:
bonds (distance) C4'-P energy: -42.592
bonds (distance) P-C4' energy: -55.915
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -32.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -431.404131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.404131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.404131 (E_RNA)
where:
Base-Base interactions energy: -262.362
where: short stacking energy: -127.358
Base-Backbone interact. energy: 0.731
local terms energy: -169.773448
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -50.386
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -20.070
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: 190
Temperature: 1.350000
Total energy: -231.642240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.642240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.642240 (E_RNA)
where:
Base-Base interactions energy: -77.780
where: short stacking energy: -75.558
Base-Backbone interact. energy: 0.043
local terms energy: -153.905329
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -40.150
flat angles C4'-P-C4' energy: -37.283
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -951.883682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.883682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.883682 (E_RNA)
where:
Base-Base interactions energy: -654.177
where: short stacking energy: -284.951
Base-Backbone interact. energy: 0.101
local terms energy: -297.807808
where:
bonds (distance) C4'-P energy: -60.449
bonds (distance) P-C4' energy: -56.568
flat angles C4'-P-C4' energy: -55.801
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -82.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -934.238452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.238452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.238452 (E_RNA)
where:
Base-Base interactions energy: -639.769
where: short stacking energy: -273.891
Base-Backbone interact. energy: -0.094
local terms energy: -294.374889
where:
bonds (distance) C4'-P energy: -54.409
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -62.302
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -83.960
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: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -931.642567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.642567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.642567 (E_RNA)
where:
Base-Base interactions energy: -651.420
where: short stacking energy: -266.349
Base-Backbone interact. energy: -1.867
local terms energy: -278.355007
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -56.368
flat angles C4'-P-C4' energy: -61.163
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: -75.889
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -862.872936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.872936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.872936 (E_RNA)
where:
Base-Base interactions energy: -590.817
where: short stacking energy: -259.212
Base-Backbone interact. energy: -0.759
local terms energy: -271.297126
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -78.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -805.156740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.156740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.156740 (E_RNA)
where:
Base-Base interactions energy: -554.739
where: short stacking energy: -240.033
Base-Backbone interact. energy: -0.758
local terms energy: -249.659955
where:
bonds (distance) C4'-P energy: -47.403
bonds (distance) P-C4' energy: -47.084
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -32.245
tors. eta vs tors. theta energy: -71.447
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: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -776.904422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.904422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.904422 (E_RNA)
where:
Base-Base interactions energy: -537.203
where: short stacking energy: -220.386
Base-Backbone interact. energy: -0.040
local terms energy: -239.660951
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -46.039
flat angles C4'-P-C4' energy: -59.950
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -62.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -791.491388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.491388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.491388 (E_RNA)
where:
Base-Base interactions energy: -536.527
where: short stacking energy: -221.519
Base-Backbone interact. energy: -2.176
local terms energy: -252.788084
where:
bonds (distance) C4'-P energy: -42.344
bonds (distance) P-C4' energy: -50.866
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -72.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -593.542293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.542293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.542293 (E_RNA)
where:
Base-Base interactions energy: -390.001
where: short stacking energy: -166.510
Base-Backbone interact. energy: -3.536
local terms energy: -200.005694
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -31.934
tors. eta vs tors. theta energy: -32.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -451.767016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.767016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.767016 (E_RNA)
where:
Base-Base interactions energy: -265.908
where: short stacking energy: -143.890
Base-Backbone interact. energy: -1.038
local terms energy: -184.821700
where:
bonds (distance) C4'-P energy: -45.992
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -28.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -246.976753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.976753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.976753 (E_RNA)
where:
Base-Base interactions energy: -85.466
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.641
local terms energy: -160.869497
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -42.557
flat angles C4'-P-C4' energy: -38.197
flat angles P-C4'-P energy: -30.643
tors. eta vs tors. theta energy: -1.342
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: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -960.111610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.111610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.111610 (E_RNA)
where:
Base-Base interactions energy: -668.044
where: short stacking energy: -292.904
Base-Backbone interact. energy: -1.571
local terms energy: -290.496703
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -50.991
flat angles C4'-P-C4' energy: -64.413
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -87.643
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: 192
Temperature: 0.950000
Total energy: -893.144636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.144636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.144636 (E_RNA)
where:
Base-Base interactions energy: -614.654
where: short stacking energy: -256.610
Base-Backbone interact. energy: 1.736
local terms energy: -280.225774
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -55.639
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -81.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -931.520821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.520821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.520821 (E_RNA)
where:
Base-Base interactions energy: -653.270
where: short stacking energy: -274.995
Base-Backbone interact. energy: 2.227
local terms energy: -280.478273
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -62.380
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: -73.648
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: 192
Temperature: 1.050000
Total energy: -849.375540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.375540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.375540 (E_RNA)
where:
Base-Base interactions energy: -584.739
where: short stacking energy: -247.141
Base-Backbone interact. energy: -1.872
local terms energy: -262.764563
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -54.778
flat angles P-C4'-P energy: -39.477
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -805.391191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.391191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.391191 (E_RNA)
where:
Base-Base interactions energy: -549.513
where: short stacking energy: -228.347
Base-Backbone interact. energy: 0.015
local terms energy: -255.892920
where:
bonds (distance) C4'-P energy: -40.265
bonds (distance) P-C4' energy: -54.202
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -33.298
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: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -749.465402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.465402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.465402 (E_RNA)
where:
Base-Base interactions energy: -502.286
where: short stacking energy: -218.767
Base-Backbone interact. energy: 0.426
local terms energy: -247.605976
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -59.862
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -56.820
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: 192
Temperature: 1.200000
Total energy: -740.529760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.529760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.529760 (E_RNA)
where:
Base-Base interactions energy: -514.636
where: short stacking energy: -221.663
Base-Backbone interact. energy: 0.566
local terms energy: -226.460127
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -55.556
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -60.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -627.565916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.565916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.565916 (E_RNA)
where:
Base-Base interactions energy: -439.701
where: short stacking energy: -198.401
Base-Backbone interact. energy: -1.816
local terms energy: -186.048798
where:
bonds (distance) C4'-P energy: -43.388
bonds (distance) P-C4' energy: -33.177
flat angles C4'-P-C4' energy: -39.974
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: -40.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -445.172412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.172412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.172412 (E_RNA)
where:
Base-Base interactions energy: -265.479
where: short stacking energy: -136.985
Base-Backbone interact. energy: -0.649
local terms energy: -179.043851
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -50.207
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -293.327575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.327575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.327575 (E_RNA)
where:
Base-Base interactions energy: -134.951
where: short stacking energy: -94.599
Base-Backbone interact. energy: 2.424
local terms energy: -160.800993
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -48.763
flat angles C4'-P-C4' energy: -36.409
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -962.230427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.230427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.230427 (E_RNA)
where:
Base-Base interactions energy: -679.715
where: short stacking energy: -297.478
Base-Backbone interact. energy: -1.341
local terms energy: -281.174849
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -46.479
flat angles C4'-P-C4' energy: -60.943
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -87.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -903.716452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.716452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.716452 (E_RNA)
where:
Base-Base interactions energy: -627.134
where: short stacking energy: -266.667
Base-Backbone interact. energy: -0.572
local terms energy: -276.010188
where:
bonds (distance) C4'-P energy: -44.143
bonds (distance) P-C4' energy: -44.296
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -51.231
tors. eta vs tors. theta energy: -79.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -923.227032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.227032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.227032 (E_RNA)
where:
Base-Base interactions energy: -638.761
where: short stacking energy: -262.625
Base-Backbone interact. energy: -0.412
local terms energy: -284.053853
where:
bonds (distance) C4'-P energy: -49.134
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -42.804
tors. eta vs tors. theta energy: -81.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -820.963868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.963868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.963868 (E_RNA)
where:
Base-Base interactions energy: -551.397
where: short stacking energy: -231.762
Base-Backbone interact. energy: 1.793
local terms energy: -271.359785
where:
bonds (distance) C4'-P energy: -57.383
bonds (distance) P-C4' energy: -50.823
flat angles C4'-P-C4' energy: -62.523
flat angles P-C4'-P energy: -34.898
tors. eta vs tors. theta energy: -65.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -810.390894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.390894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.390894 (E_RNA)
where:
Base-Base interactions energy: -579.842
where: short stacking energy: -233.908
Base-Backbone interact. energy: -1.031
local terms energy: -229.517179
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -61.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -793.876827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.876827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.876827 (E_RNA)
where:
Base-Base interactions energy: -547.311
where: short stacking energy: -238.078
Base-Backbone interact. energy: -0.192
local terms energy: -246.373326
where:
bonds (distance) C4'-P energy: -58.848
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -54.332
flat angles P-C4'-P energy: -28.893
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -734.091536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.091536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.091536 (E_RNA)
where:
Base-Base interactions energy: -495.074
where: short stacking energy: -202.017
Base-Backbone interact. energy: -0.862
local terms energy: -238.155722
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -49.290
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: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -653.694862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.694862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.694862 (E_RNA)
where:
Base-Base interactions energy: -425.329
where: short stacking energy: -183.865
Base-Backbone interact. energy: 1.090
local terms energy: -229.456329
where:
bonds (distance) C4'-P energy: -52.616
bonds (distance) P-C4' energy: -53.263
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -43.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -438.229879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.229879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.229879 (E_RNA)
where:
Base-Base interactions energy: -246.614
where: short stacking energy: -115.283
Base-Backbone interact. energy: -0.203
local terms energy: -191.412533
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -20.871
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: 193
Temperature: 1.350000
Total energy: -282.682093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.682093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.682093 (E_RNA)
where:
Base-Base interactions energy: -133.866
where: short stacking energy: -66.849
Base-Backbone interact. energy: -2.305
local terms energy: -146.510559
where:
bonds (distance) C4'-P energy: -43.100
bonds (distance) P-C4' energy: -49.665
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -24.069
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: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -970.785210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.785210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.785210 (E_RNA)
where:
Base-Base interactions energy: -675.029
where: short stacking energy: -304.733
Base-Backbone interact. energy: 1.136
local terms energy: -296.892385
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -89.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -908.613815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.613815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.613815 (E_RNA)
where:
Base-Base interactions energy: -627.101
where: short stacking energy: -270.992
Base-Backbone interact. energy: 0.007
local terms energy: -281.519346
where:
bonds (distance) C4'-P energy: -45.458
bonds (distance) P-C4' energy: -51.005
flat angles C4'-P-C4' energy: -56.902
flat angles P-C4'-P energy: -40.699
tors. eta vs tors. theta energy: -87.455
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: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -912.503637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.503637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.503637 (E_RNA)
where:
Base-Base interactions energy: -632.622
where: short stacking energy: -275.026
Base-Backbone interact. energy: -0.435
local terms energy: -279.447212
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -59.453
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -79.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -820.890399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.890399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.890399 (E_RNA)
where:
Base-Base interactions energy: -569.917
where: short stacking energy: -241.514
Base-Backbone interact. energy: -0.058
local terms energy: -250.915803
where:
bonds (distance) C4'-P energy: -55.879
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -57.664
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -68.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -828.524848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.524848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.524848 (E_RNA)
where:
Base-Base interactions energy: -568.043
where: short stacking energy: -247.816
Base-Backbone interact. energy: -0.747
local terms energy: -259.735148
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -66.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -760.912894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.912894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.912894 (E_RNA)
where:
Base-Base interactions energy: -533.911
where: short stacking energy: -225.423
Base-Backbone interact. energy: 0.661
local terms energy: -227.663174
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -51.819
flat angles C4'-P-C4' energy: -52.913
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -55.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -684.249112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.249112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.249112 (E_RNA)
where:
Base-Base interactions energy: -460.340
where: short stacking energy: -205.584
Base-Backbone interact. energy: 0.920
local terms energy: -224.828897
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -49.389
flat angles C4'-P-C4' energy: -48.133
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -48.869
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: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -698.450910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.450910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.450910 (E_RNA)
where:
Base-Base interactions energy: -485.442
where: short stacking energy: -211.961
Base-Backbone interact. energy: -0.769
local terms energy: -212.239902
where:
bonds (distance) C4'-P energy: -41.780
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -53.034
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: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -437.318265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.318265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.318265 (E_RNA)
where:
Base-Base interactions energy: -243.448
where: short stacking energy: -108.995
Base-Backbone interact. energy: 3.192
local terms energy: -197.062381
where:
bonds (distance) C4'-P energy: -46.511
bonds (distance) P-C4' energy: -56.053
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -279.938311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.938311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.938311 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -74.160
Base-Backbone interact. energy: 2.743
local terms energy: -158.388055
where:
bonds (distance) C4'-P energy: -38.816
bonds (distance) P-C4' energy: -53.817
flat angles C4'-P-C4' energy: -39.619
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -962.585503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.585503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.585503 (E_RNA)
where:
Base-Base interactions energy: -657.693
where: short stacking energy: -278.661
Base-Backbone interact. energy: -1.628
local terms energy: -303.265042
where:
bonds (distance) C4'-P energy: -50.607
bonds (distance) P-C4' energy: -60.682
flat angles C4'-P-C4' energy: -59.508
flat angles P-C4'-P energy: -46.282
tors. eta vs tors. theta energy: -86.185
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: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -946.077205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.077205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.077205 (E_RNA)
where:
Base-Base interactions energy: -649.967
where: short stacking energy: -258.167
Base-Backbone interact. energy: -1.684
local terms energy: -294.425337
where:
bonds (distance) C4'-P energy: -53.422
bonds (distance) P-C4' energy: -48.481
flat angles C4'-P-C4' energy: -61.084
flat angles P-C4'-P energy: -49.839
tors. eta vs tors. theta energy: -81.600
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: 195
Temperature: 1.000000
Total energy: -928.563471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.563471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.563471 (E_RNA)
where:
Base-Base interactions energy: -647.018
where: short stacking energy: -271.823
Base-Backbone interact. energy: -0.675
local terms energy: -280.870194
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -60.961
flat angles P-C4'-P energy: -38.251
tors. eta vs tors. theta energy: -87.238
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: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -865.052799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.052799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.052799 (E_RNA)
where:
Base-Base interactions energy: -602.620
where: short stacking energy: -240.597
Base-Backbone interact. energy: 0.202
local terms energy: -262.634607
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -46.434
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -32.490
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -804.822382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.822382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.822382 (E_RNA)
where:
Base-Base interactions energy: -555.337
where: short stacking energy: -238.553
Base-Backbone interact. energy: -1.760
local terms energy: -247.725691
where:
bonds (distance) C4'-P energy: -49.288
bonds (distance) P-C4' energy: -44.862
flat angles C4'-P-C4' energy: -57.368
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -59.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -783.243128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.243128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.243128 (E_RNA)
where:
Base-Base interactions energy: -526.022
where: short stacking energy: -214.941
Base-Backbone interact. energy: -0.335
local terms energy: -256.886835
where:
bonds (distance) C4'-P energy: -50.497
bonds (distance) P-C4' energy: -51.660
flat angles C4'-P-C4' energy: -55.544
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -67.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -751.424891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.424891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.424891 (E_RNA)
where:
Base-Base interactions energy: -520.990
where: short stacking energy: -214.673
Base-Backbone interact. energy: 0.162
local terms energy: -230.596406
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -57.745
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: -56.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -706.186090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.186090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.186090 (E_RNA)
where:
Base-Base interactions energy: -503.490
where: short stacking energy: -206.728
Base-Backbone interact. energy: 0.903
local terms energy: -203.598712
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -40.424
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -51.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -466.512911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.512911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.512911 (E_RNA)
where:
Base-Base interactions energy: -281.712
where: short stacking energy: -127.226
Base-Backbone interact. energy: -1.325
local terms energy: -183.475446
where:
bonds (distance) C4'-P energy: -42.062
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -48.734
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -30.512
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: 195
Temperature: 1.350000
Total energy: -302.879709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.879709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.879709 (E_RNA)
where:
Base-Base interactions energy: -142.412
where: short stacking energy: -91.817
Base-Backbone interact. energy: -0.978
local terms energy: -159.489117
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -954.864091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.864091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.864091 (E_RNA)
where:
Base-Base interactions energy: -661.764
where: short stacking energy: -274.075
Base-Backbone interact. energy: -0.158
local terms energy: -292.942167
where:
bonds (distance) C4'-P energy: -56.376
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -81.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -943.861829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.861829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.861829 (E_RNA)
where:
Base-Base interactions energy: -665.977
where: short stacking energy: -291.773
Base-Backbone interact. energy: -0.766
local terms energy: -277.118199
where:
bonds (distance) C4'-P energy: -49.750
bonds (distance) P-C4' energy: -46.156
flat angles C4'-P-C4' energy: -67.376
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -77.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -912.162265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.162265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.162265 (E_RNA)
where:
Base-Base interactions energy: -639.105
where: short stacking energy: -265.393
Base-Backbone interact. energy: -0.491
local terms energy: -272.566180
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -43.900
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: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -852.589484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.589484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.589484 (E_RNA)
where:
Base-Base interactions energy: -583.468
where: short stacking energy: -246.278
Base-Backbone interact. energy: -0.327
local terms energy: -268.794951
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -70.112
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -821.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.631966 (E_RNA)
where:
Base-Base interactions energy: -572.376
where: short stacking energy: -237.285
Base-Backbone interact. energy: -1.142
local terms energy: -248.113568
where:
bonds (distance) C4'-P energy: -53.822
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -55.157
flat angles P-C4'-P energy: -28.569
tors. eta vs tors. theta energy: -68.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -782.269196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.269196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.269196 (E_RNA)
where:
Base-Base interactions energy: -528.087
where: short stacking energy: -230.830
Base-Backbone interact. energy: 1.268
local terms energy: -255.449942
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -52.444
flat angles P-C4'-P energy: -37.206
tors. eta vs tors. theta energy: -69.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -726.785337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.785337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.785337 (E_RNA)
where:
Base-Base interactions energy: -516.896
where: short stacking energy: -208.825
Base-Backbone interact. energy: -0.371
local terms energy: -209.518585
where:
bonds (distance) C4'-P energy: -44.924
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -53.437
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -47.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -688.656916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.656916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.656916 (E_RNA)
where:
Base-Base interactions energy: -469.786
where: short stacking energy: -193.807
Base-Backbone interact. energy: -1.435
local terms energy: -217.435745
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -48.374
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -462.392906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.392906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.392906 (E_RNA)
where:
Base-Base interactions energy: -299.929
where: short stacking energy: -146.263
Base-Backbone interact. energy: 1.885
local terms energy: -164.349589
where:
bonds (distance) C4'-P energy: -38.824
bonds (distance) P-C4' energy: -39.589
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -22.630
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: 196
Temperature: 1.350000
Total energy: -317.856760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.856760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.856760 (E_RNA)
where:
Base-Base interactions energy: -150.527
where: short stacking energy: -86.923
Base-Backbone interact. energy: 0.003
local terms energy: -167.332274
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -28.150
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -954.883679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.883679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.883679 (E_RNA)
where:
Base-Base interactions energy: -653.749
where: short stacking energy: -286.971
Base-Backbone interact. energy: -1.266
local terms energy: -299.868679
where:
bonds (distance) C4'-P energy: -58.112
bonds (distance) P-C4' energy: -62.820
flat angles C4'-P-C4' energy: -58.417
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -79.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -956.696713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.696713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.696713 (E_RNA)
where:
Base-Base interactions energy: -662.065
where: short stacking energy: -277.639
Base-Backbone interact. energy: -1.254
local terms energy: -293.377158
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -64.505
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -85.409
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: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -897.119284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.119284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.119284 (E_RNA)
where:
Base-Base interactions energy: -635.574
where: short stacking energy: -258.819
Base-Backbone interact. energy: -0.662
local terms energy: -260.883151
where:
bonds (distance) C4'-P energy: -44.645
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -81.701
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: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -845.867743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.867743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.867743 (E_RNA)
where:
Base-Base interactions energy: -582.182
where: short stacking energy: -240.459
Base-Backbone interact. energy: -1.152
local terms energy: -262.533246
where:
bonds (distance) C4'-P energy: -53.233
bonds (distance) P-C4' energy: -50.004
flat angles C4'-P-C4' energy: -53.936
flat angles P-C4'-P energy: -34.377
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: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -825.718874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.718874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.718874 (E_RNA)
where:
Base-Base interactions energy: -558.562
where: short stacking energy: -223.257
Base-Backbone interact. energy: -1.005
local terms energy: -266.151598
where:
bonds (distance) C4'-P energy: -53.639
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -55.943
flat angles P-C4'-P energy: -37.809
tors. eta vs tors. theta energy: -64.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -789.750099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.750099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.750099 (E_RNA)
where:
Base-Base interactions energy: -543.275
where: short stacking energy: -239.065
Base-Backbone interact. energy: 1.129
local terms energy: -247.604649
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -52.970
flat angles C4'-P-C4' energy: -47.230
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -68.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -736.870894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.870894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.870894 (E_RNA)
where:
Base-Base interactions energy: -513.252
where: short stacking energy: -215.020
Base-Backbone interact. energy: -0.125
local terms energy: -223.493934
where:
bonds (distance) C4'-P energy: -41.570
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -50.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -685.716699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.716699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.716699 (E_RNA)
where:
Base-Base interactions energy: -492.461
where: short stacking energy: -210.440
Base-Backbone interact. energy: -1.172
local terms energy: -192.083238
where:
bonds (distance) C4'-P energy: -35.534
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -41.604
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -47.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -438.399582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.399582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.399582 (E_RNA)
where:
Base-Base interactions energy: -270.011
where: short stacking energy: -133.735
Base-Backbone interact. energy: 0.337
local terms energy: -168.725309
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -47.994
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -298.113346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.113346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.113346 (E_RNA)
where:
Base-Base interactions energy: -124.040
where: short stacking energy: -71.000
Base-Backbone interact. energy: 1.640
local terms energy: -175.713213
where:
bonds (distance) C4'-P energy: -47.872
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -47.908
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -4.628
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: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -975.771045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.771045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.771045 (E_RNA)
where:
Base-Base interactions energy: -677.314
where: short stacking energy: -283.335
Base-Backbone interact. energy: -1.097
local terms energy: -297.360327
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -56.386
flat angles C4'-P-C4' energy: -57.179
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -86.100
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: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -952.426379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.426379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.426379 (E_RNA)
where:
Base-Base interactions energy: -664.695
where: short stacking energy: -281.535
Base-Backbone interact. energy: 0.104
local terms energy: -287.835653
where:
bonds (distance) C4'-P energy: -37.255
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -63.847
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -86.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -933.318412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.318412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.318412 (E_RNA)
where:
Base-Base interactions energy: -646.631
where: short stacking energy: -280.511
Base-Backbone interact. energy: -1.300
local terms energy: -285.387524
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -86.369
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -843.413084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.413084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.413084 (E_RNA)
where:
Base-Base interactions energy: -587.625
where: short stacking energy: -248.086
Base-Backbone interact. energy: 0.920
local terms energy: -256.708151
where:
bonds (distance) C4'-P energy: -54.776
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -53.079
flat angles P-C4'-P energy: -39.471
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: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -833.505899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.505899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.505899 (E_RNA)
where:
Base-Base interactions energy: -575.927
where: short stacking energy: -231.723
Base-Backbone interact. energy: -0.338
local terms energy: -257.240541
where:
bonds (distance) C4'-P energy: -42.317
bonds (distance) P-C4' energy: -54.543
flat angles C4'-P-C4' energy: -60.270
flat angles P-C4'-P energy: -33.316
tors. eta vs tors. theta energy: -66.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -745.191286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.191286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.191286 (E_RNA)
where:
Base-Base interactions energy: -526.291
where: short stacking energy: -214.104
Base-Backbone interact. energy: -0.916
local terms energy: -217.984305
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -32.825
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -51.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -755.823463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.823463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.823463 (E_RNA)
where:
Base-Base interactions energy: -518.043
where: short stacking energy: -209.369
Base-Backbone interact. energy: -0.143
local terms energy: -237.636681
where:
bonds (distance) C4'-P energy: -44.464
bonds (distance) P-C4' energy: -49.713
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -34.362
tors. eta vs tors. theta energy: -51.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -713.649659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.649659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.649659 (E_RNA)
where:
Base-Base interactions energy: -477.614
where: short stacking energy: -195.176
Base-Backbone interact. energy: -1.238
local terms energy: -234.797299
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -44.564
flat angles C4'-P-C4' energy: -57.238
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -49.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -482.388862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.388862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.388862 (E_RNA)
where:
Base-Base interactions energy: -289.185
where: short stacking energy: -136.098
Base-Backbone interact. energy: -0.876
local terms energy: -192.327877
where:
bonds (distance) C4'-P energy: -39.922
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -42.775
flat angles P-C4'-P energy: -24.229
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: 198
Temperature: 1.350000
Total energy: -302.589723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.589723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.589723 (E_RNA)
where:
Base-Base interactions energy: -151.599
where: short stacking energy: -87.392
Base-Backbone interact. energy: -1.880
local terms energy: -149.110275
where:
bonds (distance) C4'-P energy: -40.749
bonds (distance) P-C4' energy: -56.129
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -959.621782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.621782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.621782 (E_RNA)
where:
Base-Base interactions energy: -653.958
where: short stacking energy: -276.279
Base-Backbone interact. energy: -1.354
local terms energy: -304.309828
where:
bonds (distance) C4'-P energy: -59.483
bonds (distance) P-C4' energy: -57.007
flat angles C4'-P-C4' energy: -62.914
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: -83.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -948.457878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.457878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.457878 (E_RNA)
where:
Base-Base interactions energy: -664.139
where: short stacking energy: -285.183
Base-Backbone interact. energy: -1.010
local terms energy: -283.309238
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -49.644
flat angles C4'-P-C4' energy: -59.066
flat angles P-C4'-P energy: -33.999
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: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -894.600877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.600877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.600877 (E_RNA)
where:
Base-Base interactions energy: -617.891
where: short stacking energy: -246.802
Base-Backbone interact. energy: -1.211
local terms energy: -275.498768
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -54.014
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -78.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -812.901384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.901384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.901384 (E_RNA)
where:
Base-Base interactions energy: -571.377
where: short stacking energy: -235.925
Base-Backbone interact. energy: -0.427
local terms energy: -241.097316
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -41.406
flat angles C4'-P-C4' energy: -52.764
flat angles P-C4'-P energy: -43.786
tors. eta vs tors. theta energy: -62.576
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: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -813.253354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.253354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.253354 (E_RNA)
where:
Base-Base interactions energy: -557.237
where: short stacking energy: -226.540
Base-Backbone interact. energy: -0.176
local terms energy: -255.840516
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -59.156
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -65.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -748.244755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.244755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.244755 (E_RNA)
where:
Base-Base interactions energy: -516.601
where: short stacking energy: -212.984
Base-Backbone interact. energy: -0.449
local terms energy: -231.194097
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -50.948
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -58.430
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: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -736.070661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.070661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.070661 (E_RNA)
where:
Base-Base interactions energy: -513.326
where: short stacking energy: -203.293
Base-Backbone interact. energy: 1.535
local terms energy: -224.279972
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -54.603
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -41.633
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: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -689.379586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.379586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.379586 (E_RNA)
where:
Base-Base interactions energy: -474.599
where: short stacking energy: -182.938
Base-Backbone interact. energy: -1.101
local terms energy: -213.679855
where:
bonds (distance) C4'-P energy: -49.778
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -39.369
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: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -476.379791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.379791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.379791 (E_RNA)
where:
Base-Base interactions energy: -296.390
where: short stacking energy: -134.316
Base-Backbone interact. energy: 0.172
local terms energy: -180.161166
where:
bonds (distance) C4'-P energy: -44.670
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -28.527
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: 199
Temperature: 1.350000
Total energy: -317.205467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.205467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.205467 (E_RNA)
where:
Base-Base interactions energy: -155.039
where: short stacking energy: -93.681
Base-Backbone interact. energy: 1.439
local terms energy: -163.605476
where:
bonds (distance) C4'-P energy: -43.847
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -40.458
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -969.753523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.753523 (E_RNA)
where:
Base-Base interactions energy: -669.391
where: short stacking energy: -280.783
Base-Backbone interact. energy: -0.178
local terms energy: -300.185163
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -58.623
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -89.055
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: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -934.836530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.836530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.836530 (E_RNA)
where:
Base-Base interactions energy: -665.268
where: short stacking energy: -275.316
Base-Backbone interact. energy: 1.895
local terms energy: -271.463637
where:
bonds (distance) C4'-P energy: -50.556
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -79.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -855.116873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.116873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.116873 (E_RNA)
where:
Base-Base interactions energy: -583.873
where: short stacking energy: -237.014
Base-Backbone interact. energy: -1.299
local terms energy: -269.944928
where:
bonds (distance) C4'-P energy: -52.503
bonds (distance) P-C4' energy: -51.908
flat angles C4'-P-C4' energy: -56.447
flat angles P-C4'-P energy: -37.253
tors. eta vs tors. theta energy: -71.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -897.530038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.530038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.530038 (E_RNA)
where:
Base-Base interactions energy: -627.279
where: short stacking energy: -245.133
Base-Backbone interact. energy: -0.639
local terms energy: -269.611991
where:
bonds (distance) C4'-P energy: -55.547
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -56.196
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: -71.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -826.565909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.565909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.565909 (E_RNA)
where:
Base-Base interactions energy: -554.125
where: short stacking energy: -224.306
Base-Backbone interact. energy: 2.009
local terms energy: -274.449992
where:
bonds (distance) C4'-P energy: -53.697
bonds (distance) P-C4' energy: -56.921
flat angles C4'-P-C4' energy: -58.836
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -66.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -754.504908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.504908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.504908 (E_RNA)
where:
Base-Base interactions energy: -510.263
where: short stacking energy: -214.632
Base-Backbone interact. energy: -1.388
local terms energy: -242.853524
where:
bonds (distance) C4'-P energy: -36.625
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -56.564
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -58.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -744.004462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.004462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.004462 (E_RNA)
where:
Base-Base interactions energy: -521.999
where: short stacking energy: -215.178
Base-Backbone interact. energy: 0.582
local terms energy: -222.587222
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -57.367
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -37.120
tors. eta vs tors. theta energy: -46.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -718.704283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.704283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.704283 (E_RNA)
where:
Base-Base interactions energy: -505.891
where: short stacking energy: -215.499
Base-Backbone interact. energy: -1.303
local terms energy: -211.510499
where:
bonds (distance) C4'-P energy: -40.095
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -48.418
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -55.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -419.768979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.768979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.768979 (E_RNA)
where:
Base-Base interactions energy: -240.004
where: short stacking energy: -113.335
Base-Backbone interact. energy: 0.150
local terms energy: -179.915106
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -46.075
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -37.430
tors. eta vs tors. theta energy: -13.265
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: 200
Temperature: 1.350000
Total energy: -306.224379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.224379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.224379 (E_RNA)
where:
Base-Base interactions energy: -160.608
where: short stacking energy: -95.678
Base-Backbone interact. energy: -1.797
local terms energy: -143.819933
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -49.281
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -954.297687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.297687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.297687 (E_RNA)
where:
Base-Base interactions energy: -661.842
where: short stacking energy: -260.036
Base-Backbone interact. energy: 0.635
local terms energy: -293.090195
where:
bonds (distance) C4'-P energy: -50.006
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -58.631
flat angles P-C4'-P energy: -44.698
tors. eta vs tors. theta energy: -86.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -887.454959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.454959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.454959 (E_RNA)
where:
Base-Base interactions energy: -603.504
where: short stacking energy: -265.666
Base-Backbone interact. energy: -0.056
local terms energy: -283.894173
where:
bonds (distance) C4'-P energy: -55.726
bonds (distance) P-C4' energy: -54.927
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -41.425
tors. eta vs tors. theta energy: -72.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -919.057526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.057526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.057526 (E_RNA)
where:
Base-Base interactions energy: -659.295
where: short stacking energy: -275.277
Base-Backbone interact. energy: 1.166
local terms energy: -260.928128
where:
bonds (distance) C4'-P energy: -43.487
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -54.462
flat angles P-C4'-P energy: -41.740
tors. eta vs tors. theta energy: -80.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -886.576735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.576735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.576735 (E_RNA)
where:
Base-Base interactions energy: -618.925
where: short stacking energy: -256.313
Base-Backbone interact. energy: -1.253
local terms energy: -266.398823
where:
bonds (distance) C4'-P energy: -44.762
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -46.376
tors. eta vs tors. theta energy: -77.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -819.485119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.485119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.485119 (E_RNA)
where:
Base-Base interactions energy: -575.654
where: short stacking energy: -242.476
Base-Backbone interact. energy: 2.428
local terms energy: -246.258629
where:
bonds (distance) C4'-P energy: -42.694
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -51.754
flat angles P-C4'-P energy: -33.687
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: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -749.423653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.423653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.423653 (E_RNA)
where:
Base-Base interactions energy: -502.978
where: short stacking energy: -222.901
Base-Backbone interact. energy: -1.784
local terms energy: -244.662159
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -50.337
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -39.386
tors. eta vs tors. theta energy: -58.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -722.312546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.312546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.312546 (E_RNA)
where:
Base-Base interactions energy: -515.320
where: short stacking energy: -197.243
Base-Backbone interact. energy: -1.431
local terms energy: -205.561012
where:
bonds (distance) C4'-P energy: -48.323
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -48.129
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -46.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -685.703072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.703072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.703072 (E_RNA)
where:
Base-Base interactions energy: -456.485
where: short stacking energy: -202.615
Base-Backbone interact. energy: -1.941
local terms energy: -227.277123
where:
bonds (distance) C4'-P energy: -46.492
bonds (distance) P-C4' energy: -42.855
flat angles C4'-P-C4' energy: -52.815
flat angles P-C4'-P energy: -35.036
tors. eta vs tors. theta energy: -50.077
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: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -420.843579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.843579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.843579 (E_RNA)
where:
Base-Base interactions energy: -237.189
where: short stacking energy: -102.410
Base-Backbone interact. energy: -1.944
local terms energy: -181.710556
where:
bonds (distance) C4'-P energy: -44.464
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -43.887
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -28.098
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: 201
Temperature: 1.350000
Total energy: -286.651115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.651115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.651115 (E_RNA)
where:
Base-Base interactions energy: -144.841
where: short stacking energy: -86.182
Base-Backbone interact. energy: -0.212
local terms energy: -141.598140
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -43.714
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: 2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -967.689160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.689160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.689160 (E_RNA)
where:
Base-Base interactions energy: -676.741
where: short stacking energy: -290.336
Base-Backbone interact. energy: -2.146
local terms energy: -288.802728
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -63.138
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -83.979
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: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -879.656067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.656067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.656067 (E_RNA)
where:
Base-Base interactions energy: -594.919
where: short stacking energy: -249.543
Base-Backbone interact. energy: -1.236
local terms energy: -283.501945
where:
bonds (distance) C4'-P energy: -54.048
bonds (distance) P-C4' energy: -53.053
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -70.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -908.358491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.358491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.358491 (E_RNA)
where:
Base-Base interactions energy: -628.192
where: short stacking energy: -275.531
Base-Backbone interact. energy: -0.752
local terms energy: -279.414457
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -59.551
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -70.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -874.987483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.987483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.987483 (E_RNA)
where:
Base-Base interactions energy: -595.126
where: short stacking energy: -258.711
Base-Backbone interact. energy: -1.099
local terms energy: -278.762628
where:
bonds (distance) C4'-P energy: -54.736
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -36.776
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: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -823.099561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.099561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.099561 (E_RNA)
where:
Base-Base interactions energy: -563.371
where: short stacking energy: -252.492
Base-Backbone interact. energy: -0.175
local terms energy: -259.553012
where:
bonds (distance) C4'-P energy: -45.934
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -52.089
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -76.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -767.698849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.698849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.698849 (E_RNA)
where:
Base-Base interactions energy: -510.031
where: short stacking energy: -224.323
Base-Backbone interact. energy: -0.971
local terms energy: -256.696736
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -53.601
flat angles C4'-P-C4' energy: -50.239
flat angles P-C4'-P energy: -40.825
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: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -718.405538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.405538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.405538 (E_RNA)
where:
Base-Base interactions energy: -508.415
where: short stacking energy: -205.879
Base-Backbone interact. energy: 3.126
local terms energy: -213.116493
where:
bonds (distance) C4'-P energy: -35.717
bonds (distance) P-C4' energy: -47.443
flat angles C4'-P-C4' energy: -51.935
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: -41.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -635.798523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.798523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.798523 (E_RNA)
where:
Base-Base interactions energy: -437.989
where: short stacking energy: -173.985
Base-Backbone interact. energy: 1.788
local terms energy: -199.597615
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -44.068
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -48.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -418.607099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.607099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.607099 (E_RNA)
where:
Base-Base interactions energy: -247.067
where: short stacking energy: -107.952
Base-Backbone interact. energy: 0.476
local terms energy: -172.016656
where:
bonds (distance) C4'-P energy: -35.218
bonds (distance) P-C4' energy: -45.112
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -265.279555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.279555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.279555 (E_RNA)
where:
Base-Base interactions energy: -108.528
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.301
local terms energy: -156.450867
where:
bonds (distance) C4'-P energy: -40.590
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -964.850723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.850723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.850723 (E_RNA)
where:
Base-Base interactions energy: -660.691
where: short stacking energy: -288.752
Base-Backbone interact. energy: -0.941
local terms energy: -303.218396
where:
bonds (distance) C4'-P energy: -48.626
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: -92.711
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: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -928.716782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.716782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.716782 (E_RNA)
where:
Base-Base interactions energy: -642.766
where: short stacking energy: -264.406
Base-Backbone interact. energy: 0.486
local terms energy: -286.437043
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -55.107
flat angles C4'-P-C4' energy: -55.297
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -78.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -875.217031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.217031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.217031 (E_RNA)
where:
Base-Base interactions energy: -608.209
where: short stacking energy: -247.727
Base-Backbone interact. energy: 0.949
local terms energy: -267.956565
where:
bonds (distance) C4'-P energy: -53.176
bonds (distance) P-C4' energy: -50.683
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -29.564
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: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -889.050926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.050926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.050926 (E_RNA)
where:
Base-Base interactions energy: -604.215
where: short stacking energy: -249.970
Base-Backbone interact. energy: 2.084
local terms energy: -286.920450
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -58.578
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -79.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -824.932564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.932564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.932564 (E_RNA)
where:
Base-Base interactions energy: -565.179
where: short stacking energy: -247.392
Base-Backbone interact. energy: -0.615
local terms energy: -259.138898
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -48.397
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -75.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -758.861591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.861591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.861591 (E_RNA)
where:
Base-Base interactions energy: -526.143
where: short stacking energy: -223.860
Base-Backbone interact. energy: -0.875
local terms energy: -231.843651
where:
bonds (distance) C4'-P energy: -38.016
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -38.302
tors. eta vs tors. theta energy: -59.587
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: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -726.603569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.603569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.603569 (E_RNA)
where:
Base-Base interactions energy: -498.419
where: short stacking energy: -211.629
Base-Backbone interact. energy: 0.702
local terms energy: -228.886428
where:
bonds (distance) C4'-P energy: -39.142
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -51.838
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -52.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -635.695392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.695392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.695392 (E_RNA)
where:
Base-Base interactions energy: -436.976
where: short stacking energy: -182.001
Base-Backbone interact. energy: -0.732
local terms energy: -197.987278
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -34.218
tors. eta vs tors. theta energy: -39.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -401.080699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.080699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.080699 (E_RNA)
where:
Base-Base interactions energy: -223.857
where: short stacking energy: -117.800
Base-Backbone interact. energy: 0.733
local terms energy: -177.956821
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -39.633
flat angles C4'-P-C4' energy: -53.707
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -225.309285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.309285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.309285 (E_RNA)
where:
Base-Base interactions energy: -65.071
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.474
local terms energy: -159.763903
where:
bonds (distance) C4'-P energy: -47.186
bonds (distance) P-C4' energy: -49.202
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: 7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -971.338656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.338656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.338656 (E_RNA)
where:
Base-Base interactions energy: -665.219
where: short stacking energy: -291.275
Base-Backbone interact. energy: -0.762
local terms energy: -305.356853
where:
bonds (distance) C4'-P energy: -53.546
bonds (distance) P-C4' energy: -51.157
flat angles C4'-P-C4' energy: -60.481
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -94.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -930.067157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.067157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.067157 (E_RNA)
where:
Base-Base interactions energy: -647.925
where: short stacking energy: -268.525
Base-Backbone interact. energy: 0.026
local terms energy: -282.167481
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -50.923
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -41.102
tors. eta vs tors. theta energy: -81.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -937.738062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.738062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.738062 (E_RNA)
where:
Base-Base interactions energy: -651.885
where: short stacking energy: -281.141
Base-Backbone interact. energy: -0.957
local terms energy: -284.895849
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -90.478
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -847.685082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.685082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.685082 (E_RNA)
where:
Base-Base interactions energy: -569.970
where: short stacking energy: -236.578
Base-Backbone interact. energy: -0.837
local terms energy: -276.878260
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -42.681
tors. eta vs tors. theta energy: -65.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -794.785439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.785439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.785439 (E_RNA)
where:
Base-Base interactions energy: -525.920
where: short stacking energy: -231.843
Base-Backbone interact. energy: -0.131
local terms energy: -268.734911
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -57.312
flat angles C4'-P-C4' energy: -62.940
flat angles P-C4'-P energy: -36.684
tors. eta vs tors. theta energy: -66.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -762.004141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.004141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.004141 (E_RNA)
where:
Base-Base interactions energy: -517.097
where: short stacking energy: -234.750
Base-Backbone interact. energy: -1.500
local terms energy: -243.406833
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: -61.262
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: 204
Temperature: 1.200000
Total energy: -716.430677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.430677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.430677 (E_RNA)
where:
Base-Base interactions energy: -477.089
where: short stacking energy: -197.717
Base-Backbone interact. energy: -1.235
local terms energy: -238.105978
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -50.406
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -55.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -646.587843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.587843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.587843 (E_RNA)
where:
Base-Base interactions energy: -447.978
where: short stacking energy: -193.305
Base-Backbone interact. energy: -1.242
local terms energy: -197.367553
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -42.392
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -44.169
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: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -405.155355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.155355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.155355 (E_RNA)
where:
Base-Base interactions energy: -222.829
where: short stacking energy: -125.217
Base-Backbone interact. energy: -0.865
local terms energy: -181.460937
where:
bonds (distance) C4'-P energy: -42.831
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -50.583
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -227.481459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.481459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.481459 (E_RNA)
where:
Base-Base interactions energy: -87.069
where: short stacking energy: -71.513
Base-Backbone interact. energy: -1.476
local terms energy: -138.936638
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -44.511
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -970.977115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.977115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.977115 (E_RNA)
where:
Base-Base interactions energy: -665.236
where: short stacking energy: -287.800
Base-Backbone interact. energy: -1.963
local terms energy: -303.778050
where:
bonds (distance) C4'-P energy: -59.734
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -46.482
tors. eta vs tors. theta energy: -87.646
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: 205
Temperature: 0.950000
Total energy: -934.424982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.424982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.424982 (E_RNA)
where:
Base-Base interactions energy: -650.912
where: short stacking energy: -268.002
Base-Backbone interact. energy: -0.558
local terms energy: -282.955374
where:
bonds (distance) C4'-P energy: -54.537
bonds (distance) P-C4' energy: -54.527
flat angles C4'-P-C4' energy: -58.219
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -83.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -906.291727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.291727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.291727 (E_RNA)
where:
Base-Base interactions energy: -641.190
where: short stacking energy: -268.003
Base-Backbone interact. energy: 0.980
local terms energy: -266.081115
where:
bonds (distance) C4'-P energy: -50.230
bonds (distance) P-C4' energy: -44.119
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -79.960
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: 205
Temperature: 1.050000
Total energy: -813.835049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.835049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.835049 (E_RNA)
where:
Base-Base interactions energy: -553.501
where: short stacking energy: -224.497
Base-Backbone interact. energy: -0.686
local terms energy: -259.647966
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -57.325
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -63.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -832.785395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.785395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.785395 (E_RNA)
where:
Base-Base interactions energy: -593.073
where: short stacking energy: -250.772
Base-Backbone interact. energy: 0.668
local terms energy: -240.380520
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -47.872
flat angles C4'-P-C4' energy: -53.006
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -72.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -744.533170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.533170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.533170 (E_RNA)
where:
Base-Base interactions energy: -509.480
where: short stacking energy: -205.963
Base-Backbone interact. energy: 1.836
local terms energy: -236.889253
where:
bonds (distance) C4'-P energy: -45.737
bonds (distance) P-C4' energy: -42.795
flat angles C4'-P-C4' energy: -57.434
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -53.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -739.641301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.641301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.641301 (E_RNA)
where:
Base-Base interactions energy: -504.135
where: short stacking energy: -216.830
Base-Backbone interact. energy: -0.065
local terms energy: -235.441587
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -59.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -606.269264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.269264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.269264 (E_RNA)
where:
Base-Base interactions energy: -390.017
where: short stacking energy: -175.958
Base-Backbone interact. energy: 0.222
local terms energy: -216.474347
where:
bonds (distance) C4'-P energy: -41.900
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -411.697320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.697320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.697320 (E_RNA)
where:
Base-Base interactions energy: -236.909
where: short stacking energy: -124.005
Base-Backbone interact. energy: -0.442
local terms energy: -174.346376
where:
bonds (distance) C4'-P energy: -40.618
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -45.519
flat angles P-C4'-P energy: -27.564
tors. eta vs tors. theta energy: -16.087
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: 205
Temperature: 1.350000
Total energy: -223.710919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.710919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.710919 (E_RNA)
where:
Base-Base interactions energy: -88.493
where: short stacking energy: -82.226
Base-Backbone interact. energy: 2.309
local terms energy: -137.526347
where:
bonds (distance) C4'-P energy: -35.733
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -13.511
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: 206
Temperature: 0.900000
Total energy: -962.341831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.341831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.341831 (E_RNA)
where:
Base-Base interactions energy: -655.186
where: short stacking energy: -287.270
Base-Backbone interact. energy: -2.111
local terms energy: -305.045281
where:
bonds (distance) C4'-P energy: -51.098
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -62.515
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -91.256
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: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -943.141206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.141206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.141206 (E_RNA)
where:
Base-Base interactions energy: -657.909
where: short stacking energy: -269.142
Base-Backbone interact. energy: 0.158
local terms energy: -285.390046
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -52.033
flat angles C4'-P-C4' energy: -56.402
flat angles P-C4'-P energy: -43.785
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -910.733182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.733182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.733182 (E_RNA)
where:
Base-Base interactions energy: -620.533
where: short stacking energy: -259.447
Base-Backbone interact. energy: -0.951
local terms energy: -289.249682
where:
bonds (distance) C4'-P energy: -50.258
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -61.989
flat angles P-C4'-P energy: -45.107
tors. eta vs tors. theta energy: -78.250
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: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -838.297022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.297022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.297022 (E_RNA)
where:
Base-Base interactions energy: -579.358
where: short stacking energy: -244.135
Base-Backbone interact. energy: -0.071
local terms energy: -258.867558
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -42.894
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -34.948
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: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -821.955917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.955917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.955917 (E_RNA)
where:
Base-Base interactions energy: -569.227
where: short stacking energy: -233.109
Base-Backbone interact. energy: 0.920
local terms energy: -253.649399
where:
bonds (distance) C4'-P energy: -49.477
bonds (distance) P-C4' energy: -46.880
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -35.253
tors. eta vs tors. theta energy: -60.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -761.044465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.044465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.044465 (E_RNA)
where:
Base-Base interactions energy: -522.986
where: short stacking energy: -214.475
Base-Backbone interact. energy: -0.320
local terms energy: -237.738303
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -48.161
flat angles C4'-P-C4' energy: -59.131
flat angles P-C4'-P energy: -33.665
tors. eta vs tors. theta energy: -55.736
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: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -736.988260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.988260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.988260 (E_RNA)
where:
Base-Base interactions energy: -517.742
where: short stacking energy: -217.129
Base-Backbone interact. energy: -0.797
local terms energy: -218.449588
where:
bonds (distance) C4'-P energy: -46.500
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -54.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -598.975896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.975896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.975896 (E_RNA)
where:
Base-Base interactions energy: -390.146
where: short stacking energy: -171.101
Base-Backbone interact. energy: 0.545
local terms energy: -209.375522
where:
bonds (distance) C4'-P energy: -46.504
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -42.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -406.017039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.017039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.017039 (E_RNA)
where:
Base-Base interactions energy: -227.681
where: short stacking energy: -112.804
Base-Backbone interact. energy: 1.378
local terms energy: -179.714692
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -42.587
flat angles C4'-P-C4' energy: -44.408
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -27.695
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: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -229.581043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.581043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.581043 (E_RNA)
where:
Base-Base interactions energy: -91.084
where: short stacking energy: -81.319
Base-Backbone interact. energy: 0.505
local terms energy: -139.001759
where:
bonds (distance) C4'-P energy: -35.414
bonds (distance) P-C4' energy: -53.422
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: 4.068
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: 207
Temperature: 0.900000
Total energy: -960.038527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.038527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.038527 (E_RNA)
where:
Base-Base interactions energy: -669.850
where: short stacking energy: -288.877
Base-Backbone interact. energy: -1.531
local terms energy: -288.658294
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -50.630
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -41.675
tors. eta vs tors. theta energy: -84.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -950.445992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.445992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.445992 (E_RNA)
where:
Base-Base interactions energy: -654.492
where: short stacking energy: -285.290
Base-Backbone interact. energy: -1.070
local terms energy: -294.883812
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -61.726
flat angles P-C4'-P energy: -44.738
tors. eta vs tors. theta energy: -90.187
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: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -911.467341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.467341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.467341 (E_RNA)
where:
Base-Base interactions energy: -638.606
where: short stacking energy: -241.613
Base-Backbone interact. energy: -1.284
local terms energy: -271.577506
where:
bonds (distance) C4'-P energy: -56.188
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -51.878
flat angles P-C4'-P energy: -39.354
tors. eta vs tors. theta energy: -72.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -844.513890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.513890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.513890 (E_RNA)
where:
Base-Base interactions energy: -586.365
where: short stacking energy: -262.801
Base-Backbone interact. energy: -0.458
local terms energy: -257.690896
where:
bonds (distance) C4'-P energy: -61.272
bonds (distance) P-C4' energy: -42.423
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -30.533
tors. eta vs tors. theta energy: -71.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -793.881750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.881750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.881750 (E_RNA)
where:
Base-Base interactions energy: -538.338
where: short stacking energy: -224.003
Base-Backbone interact. energy: -0.071
local terms energy: -255.472802
where:
bonds (distance) C4'-P energy: -56.804
bonds (distance) P-C4' energy: -52.721
flat angles C4'-P-C4' energy: -51.310
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -56.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -741.592835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.592835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.592835 (E_RNA)
where:
Base-Base interactions energy: -510.805
where: short stacking energy: -213.222
Base-Backbone interact. energy: -0.953
local terms energy: -229.834693
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -41.102
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -31.826
tors. eta vs tors. theta energy: -52.280
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: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -747.291082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.291082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.291082 (E_RNA)
where:
Base-Base interactions energy: -512.214
where: short stacking energy: -216.976
Base-Backbone interact. energy: -0.424
local terms energy: -234.653465
where:
bonds (distance) C4'-P energy: -42.226
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -29.996
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -654.102948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.102948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.102948 (E_RNA)
where:
Base-Base interactions energy: -451.983
where: short stacking energy: -198.707
Base-Backbone interact. energy: 1.011
local terms energy: -203.130929
where:
bonds (distance) C4'-P energy: -24.976
bonds (distance) P-C4' energy: -45.121
flat angles C4'-P-C4' energy: -50.237
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -51.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -407.062424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.062424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.062424 (E_RNA)
where:
Base-Base interactions energy: -232.590
where: short stacking energy: -101.464
Base-Backbone interact. energy: -0.348
local terms energy: -174.124975
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -44.406
flat angles C4'-P-C4' energy: -43.375
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -228.972796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.972796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.972796 (E_RNA)
where:
Base-Base interactions energy: -87.469
where: short stacking energy: -74.158
Base-Backbone interact. energy: -1.069
local terms energy: -140.434707
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -973.628647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.628647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.628647 (E_RNA)
where:
Base-Base interactions energy: -676.197
where: short stacking energy: -288.026
Base-Backbone interact. energy: -1.484
local terms energy: -295.947435
where:
bonds (distance) C4'-P energy: -49.016
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -42.959
tors. eta vs tors. theta energy: -93.663
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: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -946.325022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.325022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.325022 (E_RNA)
where:
Base-Base interactions energy: -651.586
where: short stacking energy: -280.965
Base-Backbone interact. energy: -0.926
local terms energy: -293.813571
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -88.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -914.743954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.743954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.743954 (E_RNA)
where:
Base-Base interactions energy: -642.504
where: short stacking energy: -265.539
Base-Backbone interact. energy: -0.795
local terms energy: -271.444553
where:
bonds (distance) C4'-P energy: -54.248
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -50.856
flat angles P-C4'-P energy: -36.620
tors. eta vs tors. theta energy: -77.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -836.310781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.310781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.310781 (E_RNA)
where:
Base-Base interactions energy: -580.029
where: short stacking energy: -230.746
Base-Backbone interact. energy: -2.032
local terms energy: -254.249906
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -56.892
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -69.461
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: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -779.968339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.968339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.968339 (E_RNA)
where:
Base-Base interactions energy: -543.287
where: short stacking energy: -225.699
Base-Backbone interact. energy: -0.531
local terms energy: -236.150217
where:
bonds (distance) C4'-P energy: -42.497
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -56.689
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -51.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -763.449936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.449936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.449936 (E_RNA)
where:
Base-Base interactions energy: -514.774
where: short stacking energy: -225.319
Base-Backbone interact. energy: -0.565
local terms energy: -248.111849
where:
bonds (distance) C4'-P energy: -50.169
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -66.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -681.928840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.928840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.928840 (E_RNA)
where:
Base-Base interactions energy: -459.718
where: short stacking energy: -209.468
Base-Backbone interact. energy: -1.065
local terms energy: -221.145299
where:
bonds (distance) C4'-P energy: -44.166
bonds (distance) P-C4' energy: -55.621
flat angles C4'-P-C4' energy: -44.534
flat angles P-C4'-P energy: -30.461
tors. eta vs tors. theta energy: -46.363
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: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -702.584522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.584522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.584522 (E_RNA)
where:
Base-Base interactions energy: -471.333
where: short stacking energy: -191.254
Base-Backbone interact. energy: -1.289
local terms energy: -229.962385
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -44.367
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -50.678
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: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -412.265792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.265792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.265792 (E_RNA)
where:
Base-Base interactions energy: -246.721
where: short stacking energy: -108.461
Base-Backbone interact. energy: -1.523
local terms energy: -164.021707
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -12.787
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: 208
Temperature: 1.350000
Total energy: -214.872243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.872243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.872243 (E_RNA)
where:
Base-Base interactions energy: -69.334
where: short stacking energy: -59.395
Base-Backbone interact. energy: 1.154
local terms energy: -146.692483
where:
bonds (distance) C4'-P energy: -41.419
bonds (distance) P-C4' energy: -49.619
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: 5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -968.901632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.901632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.901632 (E_RNA)
where:
Base-Base interactions energy: -670.196
where: short stacking energy: -286.594
Base-Backbone interact. energy: -0.471
local terms energy: -298.235012
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -58.270
flat angles C4'-P-C4' energy: -52.945
flat angles P-C4'-P energy: -38.872
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: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -941.415341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.415341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.415341 (E_RNA)
where:
Base-Base interactions energy: -672.914
where: short stacking energy: -279.793
Base-Backbone interact. energy: -0.862
local terms energy: -267.639272
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -45.908
flat angles C4'-P-C4' energy: -54.685
flat angles P-C4'-P energy: -36.577
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: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -924.732845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.732845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.732845 (E_RNA)
where:
Base-Base interactions energy: -651.984
where: short stacking energy: -282.772
Base-Backbone interact. energy: -0.654
local terms energy: -272.094853
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -73.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -822.862943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.862943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.862943 (E_RNA)
where:
Base-Base interactions energy: -575.346
where: short stacking energy: -242.351
Base-Backbone interact. energy: -0.405
local terms energy: -247.112175
where:
bonds (distance) C4'-P energy: -44.190
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -33.204
tors. eta vs tors. theta energy: -64.324
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: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -806.229188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.229188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.229188 (E_RNA)
where:
Base-Base interactions energy: -543.457
where: short stacking energy: -222.480
Base-Backbone interact. energy: -1.714
local terms energy: -261.057406
where:
bonds (distance) C4'-P energy: -49.275
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -35.420
tors. eta vs tors. theta energy: -60.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -808.783884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.783884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.783884 (E_RNA)
where:
Base-Base interactions energy: -546.137
where: short stacking energy: -225.762
Base-Backbone interact. energy: -1.559
local terms energy: -261.088642
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -43.816
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: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -649.437625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.437625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.437625 (E_RNA)
where:
Base-Base interactions energy: -445.858
where: short stacking energy: -188.886
Base-Backbone interact. energy: -1.029
local terms energy: -202.550959
where:
bonds (distance) C4'-P energy: -44.016
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: -40.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -688.947618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.947618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.947618 (E_RNA)
where:
Base-Base interactions energy: -474.527
where: short stacking energy: -189.253
Base-Backbone interact. energy: -0.489
local terms energy: -213.931035
where:
bonds (distance) C4'-P energy: -39.755
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -48.253
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: -51.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -423.785376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.785376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.785376 (E_RNA)
where:
Base-Base interactions energy: -236.017
where: short stacking energy: -129.785
Base-Backbone interact. energy: -0.893
local terms energy: -186.875926
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -48.482
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -26.009
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: 209
Temperature: 1.350000
Total energy: -229.687804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.687804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.687804 (E_RNA)
where:
Base-Base interactions energy: -87.315
where: short stacking energy: -53.729
Base-Backbone interact. energy: -1.698
local terms energy: -140.674367
where:
bonds (distance) C4'-P energy: -38.070
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: 15.196
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -960.835896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.835896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.835896 (E_RNA)
where:
Base-Base interactions energy: -667.525
where: short stacking energy: -288.446
Base-Backbone interact. energy: -1.895
local terms energy: -291.415173
where:
bonds (distance) C4'-P energy: -44.779
bonds (distance) P-C4' energy: -57.864
flat angles C4'-P-C4' energy: -59.487
flat angles P-C4'-P energy: -43.319
tors. eta vs tors. theta energy: -85.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -953.073238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.073238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.073238 (E_RNA)
where:
Base-Base interactions energy: -654.638
where: short stacking energy: -293.560
Base-Backbone interact. energy: -1.516
local terms energy: -296.919442
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -58.945
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -86.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -911.985990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.985990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.985990 (E_RNA)
where:
Base-Base interactions energy: -633.983
where: short stacking energy: -272.834
Base-Backbone interact. energy: 0.732
local terms energy: -278.735235
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -46.910
flat angles C4'-P-C4' energy: -63.445
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -75.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -804.697650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.697650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.697650 (E_RNA)
where:
Base-Base interactions energy: -546.254
where: short stacking energy: -220.794
Base-Backbone interact. energy: -0.845
local terms energy: -257.599151
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -50.444
flat angles C4'-P-C4' energy: -61.775
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -60.576
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: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -813.992720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.992720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.992720 (E_RNA)
where:
Base-Base interactions energy: -579.723
where: short stacking energy: -230.108
Base-Backbone interact. energy: -0.651
local terms energy: -233.619439
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -46.802
flat angles C4'-P-C4' energy: -51.897
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -58.381
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: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -763.691430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.691430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.691430 (E_RNA)
where:
Base-Base interactions energy: -524.167
where: short stacking energy: -218.469
Base-Backbone interact. energy: -0.983
local terms energy: -238.541796
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -39.773
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -54.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -729.472273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.472273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.472273 (E_RNA)
where:
Base-Base interactions energy: -495.318
where: short stacking energy: -205.942
Base-Backbone interact. energy: -0.926
local terms energy: -233.228908
where:
bonds (distance) C4'-P energy: -44.990
bonds (distance) P-C4' energy: -45.056
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -61.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -640.311678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.311678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.311678 (E_RNA)
where:
Base-Base interactions energy: -424.350
where: short stacking energy: -175.913
Base-Backbone interact. energy: 2.020
local terms energy: -217.981220
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -54.947
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -34.086
tors. eta vs tors. theta energy: -38.841
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: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -463.547951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.547951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.547951 (E_RNA)
where:
Base-Base interactions energy: -281.914
where: short stacking energy: -138.309
Base-Backbone interact. energy: -0.557
local terms energy: -181.076935
where:
bonds (distance) C4'-P energy: -45.609
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -29.098
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -268.794422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.794422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.794422 (E_RNA)
where:
Base-Base interactions energy: -114.714
where: short stacking energy: -65.068
Base-Backbone interact. energy: -1.709
local terms energy: -152.371578
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -49.342
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: 7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -973.872773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.872773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.872773 (E_RNA)
where:
Base-Base interactions energy: -682.761
where: short stacking energy: -296.120
Base-Backbone interact. energy: -1.265
local terms energy: -289.847417
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -56.369
flat angles P-C4'-P energy: -40.239
tors. eta vs tors. theta energy: -87.992
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: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -934.849459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.849459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.849459 (E_RNA)
where:
Base-Base interactions energy: -661.085
where: short stacking energy: -277.494
Base-Backbone interact. energy: 3.397
local terms energy: -277.161614
where:
bonds (distance) C4'-P energy: -50.938
bonds (distance) P-C4' energy: -51.226
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -82.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -938.811830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.811830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.811830 (E_RNA)
where:
Base-Base interactions energy: -652.492
where: short stacking energy: -292.963
Base-Backbone interact. energy: -0.955
local terms energy: -285.365264
where:
bonds (distance) C4'-P energy: -45.388
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -46.080
tors. eta vs tors. theta energy: -94.798
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: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -827.771165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.771165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.771165 (E_RNA)
where:
Base-Base interactions energy: -559.335
where: short stacking energy: -235.955
Base-Backbone interact. energy: 0.277
local terms energy: -268.713542
where:
bonds (distance) C4'-P energy: -50.923
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -61.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -799.207949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.207949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.207949 (E_RNA)
where:
Base-Base interactions energy: -539.047
where: short stacking energy: -238.418
Base-Backbone interact. energy: 1.288
local terms energy: -261.448461
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -58.919
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -67.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -759.571252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.571252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.571252 (E_RNA)
where:
Base-Base interactions energy: -515.604
where: short stacking energy: -211.140
Base-Backbone interact. energy: 0.021
local terms energy: -243.989083
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -53.112
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -58.058
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: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -748.149972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.149972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.149972 (E_RNA)
where:
Base-Base interactions energy: -496.419
where: short stacking energy: -218.591
Base-Backbone interact. energy: -0.290
local terms energy: -251.440546
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -48.326
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -68.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -633.745037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.745037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.745037 (E_RNA)
where:
Base-Base interactions energy: -428.400
where: short stacking energy: -197.608
Base-Backbone interact. energy: 5.946
local terms energy: -211.291550
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -48.606
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -484.834292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.834292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.834292 (E_RNA)
where:
Base-Base interactions energy: -296.478
where: short stacking energy: -141.121
Base-Backbone interact. energy: -0.529
local terms energy: -187.827489
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -50.360
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -31.217
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: 211
Temperature: 1.350000
Total energy: -239.422574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.422574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.422574 (E_RNA)
where:
Base-Base interactions energy: -87.233
where: short stacking energy: -56.275
Base-Backbone interact. energy: 1.080
local terms energy: -153.269497
where:
bonds (distance) C4'-P energy: -49.746
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: 9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -973.349377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.349377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.349377 (E_RNA)
where:
Base-Base interactions energy: -667.221
where: short stacking energy: -278.965
Base-Backbone interact. energy: -0.575
local terms energy: -305.553531
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -61.956
flat angles C4'-P-C4' energy: -61.066
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -87.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -941.466426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.466426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.466426 (E_RNA)
where:
Base-Base interactions energy: -649.102
where: short stacking energy: -266.977
Base-Backbone interact. energy: -1.117
local terms energy: -291.247504
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -60.943
flat angles P-C4'-P energy: -44.826
tors. eta vs tors. theta energy: -82.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -927.608276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.608276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.608276 (E_RNA)
where:
Base-Base interactions energy: -640.995
where: short stacking energy: -271.127
Base-Backbone interact. energy: -1.085
local terms energy: -285.528305
where:
bonds (distance) C4'-P energy: -46.597
bonds (distance) P-C4' energy: -47.386
flat angles C4'-P-C4' energy: -63.916
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -88.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -826.951325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.951325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.951325 (E_RNA)
where:
Base-Base interactions energy: -565.609
where: short stacking energy: -243.411
Base-Backbone interact. energy: -0.790
local terms energy: -260.551946
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -66.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -821.936870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.936870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.936870 (E_RNA)
where:
Base-Base interactions energy: -569.974
where: short stacking energy: -241.935
Base-Backbone interact. energy: -0.633
local terms energy: -251.329961
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -53.851
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -71.994
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: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -745.707741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.707741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.707741 (E_RNA)
where:
Base-Base interactions energy: -519.869
where: short stacking energy: -212.154
Base-Backbone interact. energy: 2.355
local terms energy: -228.193623
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -38.810
flat angles C4'-P-C4' energy: -51.555
flat angles P-C4'-P energy: -36.931
tors. eta vs tors. theta energy: -53.746
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: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -735.370655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.370655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.370655 (E_RNA)
where:
Base-Base interactions energy: -506.034
where: short stacking energy: -203.124
Base-Backbone interact. energy: 1.601
local terms energy: -230.936936
where:
bonds (distance) C4'-P energy: -39.426
bonds (distance) P-C4' energy: -55.350
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -50.647
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -632.631062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.631062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.631062 (E_RNA)
where:
Base-Base interactions energy: -430.413
where: short stacking energy: -180.382
Base-Backbone interact. energy: 0.619
local terms energy: -202.837586
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -41.411
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -41.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -518.540501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.540501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.540501 (E_RNA)
where:
Base-Base interactions energy: -322.851
where: short stacking energy: -160.621
Base-Backbone interact. energy: 1.093
local terms energy: -196.782630
where:
bonds (distance) C4'-P energy: -43.057
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -39.346
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: 212
Temperature: 1.350000
Total energy: -222.445108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.445108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.445108 (E_RNA)
where:
Base-Base interactions energy: -77.666
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.867
local terms energy: -143.912171
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: 3.395
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: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -962.161775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.161775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.161775 (E_RNA)
where:
Base-Base interactions energy: -662.892
where: short stacking energy: -279.554
Base-Backbone interact. energy: -0.720
local terms energy: -298.549724
where:
bonds (distance) C4'-P energy: -53.644
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -37.402
tors. eta vs tors. theta energy: -89.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -948.328055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.328055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.328055 (E_RNA)
where:
Base-Base interactions energy: -661.308
where: short stacking energy: -285.395
Base-Backbone interact. energy: -1.063
local terms energy: -285.957188
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -88.899
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: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -931.286459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.286459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.286459 (E_RNA)
where:
Base-Base interactions energy: -643.309
where: short stacking energy: -257.211
Base-Backbone interact. energy: 2.160
local terms energy: -290.137362
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -62.505
flat angles P-C4'-P energy: -48.699
tors. eta vs tors. theta energy: -79.107
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: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -826.659511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.659511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.659511 (E_RNA)
where:
Base-Base interactions energy: -560.959
where: short stacking energy: -250.748
Base-Backbone interact. energy: -1.146
local terms energy: -264.554178
where:
bonds (distance) C4'-P energy: -48.734
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -57.173
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -69.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -801.697320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.697320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.697320 (E_RNA)
where:
Base-Base interactions energy: -574.704
where: short stacking energy: -222.234
Base-Backbone interact. energy: 1.256
local terms energy: -228.249801
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -47.309
flat angles C4'-P-C4' energy: -52.682
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -62.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -770.077668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.077668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.077668 (E_RNA)
where:
Base-Base interactions energy: -539.748
where: short stacking energy: -227.195
Base-Backbone interact. energy: 0.849
local terms energy: -231.178843
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -56.689
flat angles C4'-P-C4' energy: -50.800
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: -58.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -731.342224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.342224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.342224 (E_RNA)
where:
Base-Base interactions energy: -490.112
where: short stacking energy: -195.376
Base-Backbone interact. energy: -1.171
local terms energy: -240.059790
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -51.032
flat angles C4'-P-C4' energy: -53.319
flat angles P-C4'-P energy: -34.314
tors. eta vs tors. theta energy: -56.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -608.427780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.427780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.427780 (E_RNA)
where:
Base-Base interactions energy: -396.106
where: short stacking energy: -173.482
Base-Backbone interact. energy: 0.240
local terms energy: -212.560960
where:
bonds (distance) C4'-P energy: -47.167
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: -39.222
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: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -517.137446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.137446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.137446 (E_RNA)
where:
Base-Base interactions energy: -342.837
where: short stacking energy: -157.222
Base-Backbone interact. energy: 5.015
local terms energy: -179.316137
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -47.103
flat angles C4'-P-C4' energy: -36.797
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -24.974
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -241.812636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.812636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.812636 (E_RNA)
where:
Base-Base interactions energy: -93.068
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.588
local terms energy: -148.155970
where:
bonds (distance) C4'-P energy: -49.418
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -41.177
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: 1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -960.254592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.254592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.254592 (E_RNA)
where:
Base-Base interactions energy: -668.344
where: short stacking energy: -284.692
Base-Backbone interact. energy: -0.950
local terms energy: -290.960303
where:
bonds (distance) C4'-P energy: -55.071
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -60.117
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -81.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -951.076444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.076444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.076444 (E_RNA)
where:
Base-Base interactions energy: -651.883
where: short stacking energy: -270.800
Base-Backbone interact. energy: 0.382
local terms energy: -299.575377
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -87.427
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: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -915.340353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.340353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.340353 (E_RNA)
where:
Base-Base interactions energy: -639.422
where: short stacking energy: -264.799
Base-Backbone interact. energy: -1.038
local terms energy: -274.880513
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -35.249
tors. eta vs tors. theta energy: -78.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -853.706023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.706023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.706023 (E_RNA)
where:
Base-Base interactions energy: -586.802
where: short stacking energy: -251.939
Base-Backbone interact. energy: -0.502
local terms energy: -266.402759
where:
bonds (distance) C4'-P energy: -51.384
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -58.654
flat angles P-C4'-P energy: -41.936
tors. eta vs tors. theta energy: -72.047
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: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -817.716253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.716253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.716253 (E_RNA)
where:
Base-Base interactions energy: -544.921
where: short stacking energy: -234.852
Base-Backbone interact. energy: -1.474
local terms energy: -271.320579
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -57.107
flat angles C4'-P-C4' energy: -64.014
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -64.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -771.740353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.740353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.740353 (E_RNA)
where:
Base-Base interactions energy: -525.057
where: short stacking energy: -227.529
Base-Backbone interact. energy: -0.729
local terms energy: -245.954668
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -49.115
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -60.247
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: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -759.401473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.401473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.401473 (E_RNA)
where:
Base-Base interactions energy: -519.224
where: short stacking energy: -218.964
Base-Backbone interact. energy: 2.062
local terms energy: -242.239615
where:
bonds (distance) C4'-P energy: -51.720
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -55.499
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -63.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -582.473301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.473301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.473301 (E_RNA)
where:
Base-Base interactions energy: -403.712
where: short stacking energy: -163.004
Base-Backbone interact. energy: 0.858
local terms energy: -179.619648
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -529.422717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.422717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.422717 (E_RNA)
where:
Base-Base interactions energy: -331.262
where: short stacking energy: -136.978
Base-Backbone interact. energy: -1.372
local terms energy: -196.789290
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -45.711
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -33.115
tors. eta vs tors. theta energy: -30.954
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: 214
Temperature: 1.350000
Total energy: -234.401281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.401281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.401281 (E_RNA)
where:
Base-Base interactions energy: -72.720
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.111
local terms energy: -161.569686
where:
bonds (distance) C4'-P energy: -43.086
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -29.476
tors. eta vs tors. theta energy: -4.318
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: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -968.374722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.374722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.374722 (E_RNA)
where:
Base-Base interactions energy: -677.662
where: short stacking energy: -284.420
Base-Backbone interact. energy: -1.211
local terms energy: -289.502679
where:
bonds (distance) C4'-P energy: -48.811
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -93.518
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: 215
Temperature: 0.950000
Total energy: -954.659088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.659088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.659088 (E_RNA)
where:
Base-Base interactions energy: -661.906
where: short stacking energy: -289.427
Base-Backbone interact. energy: -0.338
local terms energy: -292.415452
where:
bonds (distance) C4'-P energy: -55.741
bonds (distance) P-C4' energy: -50.379
flat angles C4'-P-C4' energy: -62.919
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -86.776
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: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -931.854421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.854421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.854421 (E_RNA)
where:
Base-Base interactions energy: -649.612
where: short stacking energy: -253.470
Base-Backbone interact. energy: -1.239
local terms energy: -281.003889
where:
bonds (distance) C4'-P energy: -47.205
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -80.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -860.870520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.870520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.870520 (E_RNA)
where:
Base-Base interactions energy: -584.726
where: short stacking energy: -251.230
Base-Backbone interact. energy: 0.641
local terms energy: -276.785849
where:
bonds (distance) C4'-P energy: -45.345
bonds (distance) P-C4' energy: -47.719
flat angles C4'-P-C4' energy: -57.089
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -81.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -791.468355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.468355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.468355 (E_RNA)
where:
Base-Base interactions energy: -538.790
where: short stacking energy: -232.232
Base-Backbone interact. energy: -0.219
local terms energy: -252.459264
where:
bonds (distance) C4'-P energy: -49.882
bonds (distance) P-C4' energy: -45.603
flat angles C4'-P-C4' energy: -61.735
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -56.738
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: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -776.630848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.630848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.630848 (E_RNA)
where:
Base-Base interactions energy: -526.666
where: short stacking energy: -217.746
Base-Backbone interact. energy: 5.072
local terms energy: -255.036827
where:
bonds (distance) C4'-P energy: -48.730
bonds (distance) P-C4' energy: -54.608
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -59.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -738.119552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.119552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.119552 (E_RNA)
where:
Base-Base interactions energy: -484.207
where: short stacking energy: -204.194
Base-Backbone interact. energy: -1.988
local terms energy: -251.924854
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -57.286
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: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -580.534392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.534392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.534392 (E_RNA)
where:
Base-Base interactions energy: -380.671
where: short stacking energy: -173.852
Base-Backbone interact. energy: -0.521
local terms energy: -199.341856
where:
bonds (distance) C4'-P energy: -50.842
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -39.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -543.200576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.200576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.200576 (E_RNA)
where:
Base-Base interactions energy: -328.949
where: short stacking energy: -158.900
Base-Backbone interact. energy: 3.150
local terms energy: -217.401173
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -56.944
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -35.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -229.574749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.574749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.574749 (E_RNA)
where:
Base-Base interactions energy: -67.511
where: short stacking energy: -62.579
Base-Backbone interact. energy: -0.938
local terms energy: -161.125132
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -47.950
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: 1.788
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: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -974.158239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.158239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.158239 (E_RNA)
where:
Base-Base interactions energy: -675.815
where: short stacking energy: -293.972
Base-Backbone interact. energy: -0.662
local terms energy: -297.681307
where:
bonds (distance) C4'-P energy: -50.649
bonds (distance) P-C4' energy: -55.859
flat angles C4'-P-C4' energy: -60.620
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -92.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -944.378329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.378329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.378329 (E_RNA)
where:
Base-Base interactions energy: -649.484
where: short stacking energy: -286.720
Base-Backbone interact. energy: -0.184
local terms energy: -294.709475
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -47.278
flat angles C4'-P-C4' energy: -61.250
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -89.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -924.465353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.465353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.465353 (E_RNA)
where:
Base-Base interactions energy: -634.761
where: short stacking energy: -273.427
Base-Backbone interact. energy: 3.634
local terms energy: -293.338296
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -44.738
flat angles C4'-P-C4' energy: -66.438
flat angles P-C4'-P energy: -48.625
tors. eta vs tors. theta energy: -80.664
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -841.603762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.603762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.603762 (E_RNA)
where:
Base-Base interactions energy: -574.603
where: short stacking energy: -247.321
Base-Backbone interact. energy: 0.161
local terms energy: -267.161710
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -49.710
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -40.036
tors. eta vs tors. theta energy: -67.483
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -814.356617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.356617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.356617 (E_RNA)
where:
Base-Base interactions energy: -534.827
where: short stacking energy: -231.546
Base-Backbone interact. energy: -2.197
local terms energy: -277.332716
where:
bonds (distance) C4'-P energy: -52.863
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -61.001
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -65.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -769.253863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.253863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.253863 (E_RNA)
where:
Base-Base interactions energy: -530.847
where: short stacking energy: -216.640
Base-Backbone interact. energy: -1.664
local terms energy: -236.743350
where:
bonds (distance) C4'-P energy: -46.541
bonds (distance) P-C4' energy: -51.741
flat angles C4'-P-C4' energy: -56.753
flat angles P-C4'-P energy: -32.095
tors. eta vs tors. theta energy: -49.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -744.705844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.705844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.705844 (E_RNA)
where:
Base-Base interactions energy: -512.776
where: short stacking energy: -215.991
Base-Backbone interact. energy: 6.333
local terms energy: -238.263109
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -55.512
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -54.765
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: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -551.452528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.452528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.452528 (E_RNA)
where:
Base-Base interactions energy: -357.287
where: short stacking energy: -150.273
Base-Backbone interact. energy: -0.461
local terms energy: -193.704295
where:
bonds (distance) C4'-P energy: -43.107
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -534.142994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.142994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.142994 (E_RNA)
where:
Base-Base interactions energy: -336.298
where: short stacking energy: -156.137
Base-Backbone interact. energy: -1.235
local terms energy: -196.610097
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -28.389
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -217.023258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.023258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.023258 (E_RNA)
where:
Base-Base interactions energy: -94.959
where: short stacking energy: -77.094
Base-Backbone interact. energy: -1.149
local terms energy: -120.916018
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: 2.782
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -979.143639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.143639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.143639 (E_RNA)
where:
Base-Base interactions energy: -675.706
where: short stacking energy: -285.198
Base-Backbone interact. energy: -0.805
local terms energy: -302.632205
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -57.167
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -48.194
tors. eta vs tors. theta energy: -92.235
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: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -944.677740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.677740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.677740 (E_RNA)
where:
Base-Base interactions energy: -660.749
where: short stacking energy: -268.335
Base-Backbone interact. energy: 0.137
local terms energy: -284.066408
where:
bonds (distance) C4'-P energy: -49.882
bonds (distance) P-C4' energy: -60.630
flat angles C4'-P-C4' energy: -55.782
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -84.366
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: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -934.529137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.529137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.529137 (E_RNA)
where:
Base-Base interactions energy: -650.457
where: short stacking energy: -277.689
Base-Backbone interact. energy: -1.575
local terms energy: -282.497442
where:
bonds (distance) C4'-P energy: -49.594
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -51.203
flat angles P-C4'-P energy: -46.522
tors. eta vs tors. theta energy: -81.786
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: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -868.228343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.228343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.228343 (E_RNA)
where:
Base-Base interactions energy: -597.472
where: short stacking energy: -274.908
Base-Backbone interact. energy: -0.877
local terms energy: -269.878979
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -48.285
flat angles C4'-P-C4' energy: -61.034
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: -79.455
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: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -798.475342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.475342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.475342 (E_RNA)
where:
Base-Base interactions energy: -547.991
where: short stacking energy: -226.957
Base-Backbone interact. energy: -1.478
local terms energy: -249.006443
where:
bonds (distance) C4'-P energy: -50.162
bonds (distance) P-C4' energy: -46.159
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: -62.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -794.410196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.410196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.410196 (E_RNA)
where:
Base-Base interactions energy: -560.858
where: short stacking energy: -235.524
Base-Backbone interact. energy: 0.206
local terms energy: -233.758264
where:
bonds (distance) C4'-P energy: -46.370
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -46.570
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -58.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -754.275631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.275631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.275631 (E_RNA)
where:
Base-Base interactions energy: -519.173
where: short stacking energy: -222.579
Base-Backbone interact. energy: -1.372
local terms energy: -233.730410
where:
bonds (distance) C4'-P energy: -47.967
bonds (distance) P-C4' energy: -45.187
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: -58.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -576.464292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.464292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.464292 (E_RNA)
where:
Base-Base interactions energy: -365.372
where: short stacking energy: -149.826
Base-Backbone interact. energy: -0.668
local terms energy: -210.424559
where:
bonds (distance) C4'-P energy: -42.631
bonds (distance) P-C4' energy: -45.924
flat angles C4'-P-C4' energy: -53.850
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -30.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -526.581813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.581813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.581813 (E_RNA)
where:
Base-Base interactions energy: -342.943
where: short stacking energy: -146.169
Base-Backbone interact. energy: -0.755
local terms energy: -182.883417
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -30.525
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: 217
Temperature: 1.350000
Total energy: -219.604992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.604992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.604992 (E_RNA)
where:
Base-Base interactions energy: -71.758
where: short stacking energy: -50.124
Base-Backbone interact. energy: 1.317
local terms energy: -149.163917
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: 10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -966.980830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.980830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.980830 (E_RNA)
where:
Base-Base interactions energy: -664.861
where: short stacking energy: -260.928
Base-Backbone interact. energy: -0.898
local terms energy: -301.222739
where:
bonds (distance) C4'-P energy: -54.402
bonds (distance) P-C4' energy: -52.794
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -85.036
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: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -952.069476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.069476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.069476 (E_RNA)
where:
Base-Base interactions energy: -665.449
where: short stacking energy: -276.975
Base-Backbone interact. energy: 0.233
local terms energy: -286.853456
where:
bonds (distance) C4'-P energy: -50.628
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -57.474
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -85.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -927.523659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.523659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.523659 (E_RNA)
where:
Base-Base interactions energy: -632.793
where: short stacking energy: -268.348
Base-Backbone interact. energy: 0.837
local terms energy: -295.567135
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -59.248
flat angles C4'-P-C4' energy: -59.591
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -90.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -872.868546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.868546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.868546 (E_RNA)
where:
Base-Base interactions energy: -591.331
where: short stacking energy: -256.429
Base-Backbone interact. energy: -1.939
local terms energy: -279.599395
where:
bonds (distance) C4'-P energy: -56.801
bonds (distance) P-C4' energy: -55.838
flat angles C4'-P-C4' energy: -59.052
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -73.522
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: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -792.559605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.559605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.559605 (E_RNA)
where:
Base-Base interactions energy: -539.746
where: short stacking energy: -239.044
Base-Backbone interact. energy: -0.444
local terms energy: -252.369672
where:
bonds (distance) C4'-P energy: -54.940
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -52.085
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: -67.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -761.601334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.601334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.601334 (E_RNA)
where:
Base-Base interactions energy: -508.521
where: short stacking energy: -224.941
Base-Backbone interact. energy: -0.431
local terms energy: -252.649258
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -53.901
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -30.176
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: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -735.180401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.180401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.180401 (E_RNA)
where:
Base-Base interactions energy: -502.333
where: short stacking energy: -216.218
Base-Backbone interact. energy: -1.624
local terms energy: -231.223611
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -52.401
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: -60.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -556.909777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.909777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.909777 (E_RNA)
where:
Base-Base interactions energy: -371.863
where: short stacking energy: -163.530
Base-Backbone interact. energy: -1.066
local terms energy: -183.980516
where:
bonds (distance) C4'-P energy: -35.381
bonds (distance) P-C4' energy: -43.940
flat angles C4'-P-C4' energy: -44.500
flat angles P-C4'-P energy: -26.698
tors. eta vs tors. theta energy: -33.462
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: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -490.333687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.333687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.333687 (E_RNA)
where:
Base-Base interactions energy: -317.627
where: short stacking energy: -134.526
Base-Backbone interact. energy: -0.274
local terms energy: -172.432406
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -27.893
tors. eta vs tors. theta energy: -30.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -230.967228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.967228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.967228 (E_RNA)
where:
Base-Base interactions energy: -84.507
where: short stacking energy: -71.794
Base-Backbone interact. energy: -0.225
local terms energy: -146.235478
where:
bonds (distance) C4'-P energy: -42.634
bonds (distance) P-C4' energy: -42.554
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -3.348
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: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -969.013468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.013468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.013468 (E_RNA)
where:
Base-Base interactions energy: -667.133
where: short stacking energy: -287.747
Base-Backbone interact. energy: -2.294
local terms energy: -299.586932
where:
bonds (distance) C4'-P energy: -57.597
bonds (distance) P-C4' energy: -60.671
flat angles C4'-P-C4' energy: -57.332
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -79.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -957.894857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.894857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.894857 (E_RNA)
where:
Base-Base interactions energy: -655.369
where: short stacking energy: -283.145
Base-Backbone interact. energy: -0.945
local terms energy: -301.580809
where:
bonds (distance) C4'-P energy: -53.872
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -63.805
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: -90.299
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: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -929.042992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.042992 (E_RNA)
where:
Base-Base interactions energy: -644.226
where: short stacking energy: -266.349
Base-Backbone interact. energy: -0.340
local terms energy: -284.476385
where:
bonds (distance) C4'-P energy: -45.253
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -85.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -864.630986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.630986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.630986 (E_RNA)
where:
Base-Base interactions energy: -604.632
where: short stacking energy: -254.004
Base-Backbone interact. energy: 1.162
local terms energy: -261.160301
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -53.155
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -45.315
tors. eta vs tors. theta energy: -73.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -805.801066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.801066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.801066 (E_RNA)
where:
Base-Base interactions energy: -559.963
where: short stacking energy: -243.430
Base-Backbone interact. energy: -0.575
local terms energy: -245.263230
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -40.844
flat angles C4'-P-C4' energy: -54.334
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -71.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -781.700909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.700909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.700909 (E_RNA)
where:
Base-Base interactions energy: -539.297
where: short stacking energy: -240.473
Base-Backbone interact. energy: -0.370
local terms energy: -242.034587
where:
bonds (distance) C4'-P energy: -34.133
bonds (distance) P-C4' energy: -47.632
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -68.510
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: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -731.106422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.106422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.106422 (E_RNA)
where:
Base-Base interactions energy: -496.225
where: short stacking energy: -212.610
Base-Backbone interact. energy: 0.562
local terms energy: -235.443305
where:
bonds (distance) C4'-P energy: -49.833
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -54.596
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -53.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -617.100043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.100043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.100043 (E_RNA)
where:
Base-Base interactions energy: -395.941
where: short stacking energy: -168.114
Base-Backbone interact. energy: -0.862
local terms energy: -220.297245
where:
bonds (distance) C4'-P energy: -46.751
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -50.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -497.177407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.177407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.177407 (E_RNA)
where:
Base-Base interactions energy: -300.702
where: short stacking energy: -131.084
Base-Backbone interact. energy: 0.198
local terms energy: -196.673693
where:
bonds (distance) C4'-P energy: -54.267
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -34.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -242.294296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.294296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.294296 (E_RNA)
where:
Base-Base interactions energy: -105.991
where: short stacking energy: -84.669
Base-Backbone interact. energy: 1.282
local terms energy: -137.585933
where:
bonds (distance) C4'-P energy: -49.216
bonds (distance) P-C4' energy: -39.963
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: 3.908
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: 220
Temperature: 0.900000
Total energy: -973.048672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.048672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.048672 (E_RNA)
where:
Base-Base interactions energy: -689.350
where: short stacking energy: -288.713
Base-Backbone interact. energy: -1.920
local terms energy: -281.779037
where:
bonds (distance) C4'-P energy: -49.284
bonds (distance) P-C4' energy: -51.909
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -81.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -952.325806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.325806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.325806 (E_RNA)
where:
Base-Base interactions energy: -674.077
where: short stacking energy: -275.567
Base-Backbone interact. energy: -1.211
local terms energy: -277.037656
where:
bonds (distance) C4'-P energy: -45.229
bonds (distance) P-C4' energy: -44.705
flat angles C4'-P-C4' energy: -56.617
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -85.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -927.385873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.385873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.385873 (E_RNA)
where:
Base-Base interactions energy: -644.902
where: short stacking energy: -270.570
Base-Backbone interact. energy: -0.241
local terms energy: -282.243434
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -86.618
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: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -859.623887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.623887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.623887 (E_RNA)
where:
Base-Base interactions energy: -584.274
where: short stacking energy: -260.030
Base-Backbone interact. energy: -0.350
local terms energy: -275.000809
where:
bonds (distance) C4'-P energy: -48.077
bonds (distance) P-C4' energy: -56.472
flat angles C4'-P-C4' energy: -57.840
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -71.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -803.064719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.064719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.064719 (E_RNA)
where:
Base-Base interactions energy: -547.002
where: short stacking energy: -227.622
Base-Backbone interact. energy: 0.212
local terms energy: -256.274946
where:
bonds (distance) C4'-P energy: -54.917
bonds (distance) P-C4' energy: -48.216
flat angles C4'-P-C4' energy: -50.839
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -60.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -780.489279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.489279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.489279 (E_RNA)
where:
Base-Base interactions energy: -536.356
where: short stacking energy: -238.170
Base-Backbone interact. energy: -0.500
local terms energy: -243.632871
where:
bonds (distance) C4'-P energy: -50.485
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -47.493
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -57.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -709.533909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.533909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.533909 (E_RNA)
where:
Base-Base interactions energy: -490.908
where: short stacking energy: -192.311
Base-Backbone interact. energy: -0.886
local terms energy: -217.739950
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -51.154
flat angles P-C4'-P energy: -35.427
tors. eta vs tors. theta energy: -41.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -641.133789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.133789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.133789 (E_RNA)
where:
Base-Base interactions energy: -436.233
where: short stacking energy: -189.690
Base-Backbone interact. energy: -0.261
local terms energy: -204.639299
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -42.592
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -41.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -471.522182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.522182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.522182 (E_RNA)
where:
Base-Base interactions energy: -285.874
where: short stacking energy: -132.520
Base-Backbone interact. energy: -0.518
local terms energy: -185.130436
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -243.584597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.584597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.584597 (E_RNA)
where:
Base-Base interactions energy: -71.619
where: short stacking energy: -66.353
Base-Backbone interact. energy: -0.469
local terms energy: -171.496851
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -38.877
flat angles P-C4'-P energy: -28.120
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: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -969.963366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.963366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.963366 (E_RNA)
where:
Base-Base interactions energy: -682.578
where: short stacking energy: -285.138
Base-Backbone interact. energy: -0.861
local terms energy: -286.524372
where:
bonds (distance) C4'-P energy: -57.614
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -57.137
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: -80.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -948.872697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.872697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.872697 (E_RNA)
where:
Base-Base interactions energy: -664.710
where: short stacking energy: -273.794
Base-Backbone interact. energy: 0.446
local terms energy: -284.608046
where:
bonds (distance) C4'-P energy: -51.739
bonds (distance) P-C4' energy: -49.380
flat angles C4'-P-C4' energy: -59.532
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: -87.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -917.252608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.252608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.252608 (E_RNA)
where:
Base-Base interactions energy: -636.811
where: short stacking energy: -267.686
Base-Backbone interact. energy: -0.681
local terms energy: -279.760391
where:
bonds (distance) C4'-P energy: -45.746
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -60.470
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -84.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -819.217668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.217668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.217668 (E_RNA)
where:
Base-Base interactions energy: -555.023
where: short stacking energy: -235.133
Base-Backbone interact. energy: 1.786
local terms energy: -265.980906
where:
bonds (distance) C4'-P energy: -49.337
bonds (distance) P-C4' energy: -58.204
flat angles C4'-P-C4' energy: -52.703
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: -68.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -801.369561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.369561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.369561 (E_RNA)
where:
Base-Base interactions energy: -536.928
where: short stacking energy: -234.825
Base-Backbone interact. energy: -2.079
local terms energy: -262.362939
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -54.115
flat angles C4'-P-C4' energy: -56.415
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -65.914
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: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -809.121552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.121552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.121552 (E_RNA)
where:
Base-Base interactions energy: -548.682
where: short stacking energy: -230.446
Base-Backbone interact. energy: 0.370
local terms energy: -260.809144
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -55.597
flat angles C4'-P-C4' energy: -51.329
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -71.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -719.393998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.393998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.393998 (E_RNA)
where:
Base-Base interactions energy: -503.524
where: short stacking energy: -213.055
Base-Backbone interact. energy: 0.586
local terms energy: -216.456070
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -40.535
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -60.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -668.267879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.267879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.267879 (E_RNA)
where:
Base-Base interactions energy: -456.162
where: short stacking energy: -206.047
Base-Backbone interact. energy: 1.135
local terms energy: -213.240972
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -43.700
flat angles P-C4'-P energy: -33.040
tors. eta vs tors. theta energy: -46.907
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: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -471.937956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.937956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.937956 (E_RNA)
where:
Base-Base interactions energy: -277.294
where: short stacking energy: -126.855
Base-Backbone interact. energy: -0.240
local terms energy: -194.404202
where:
bonds (distance) C4'-P energy: -46.560
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -217.839922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.839922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.839922 (E_RNA)
where:
Base-Base interactions energy: -76.556
where: short stacking energy: -61.916
Base-Backbone interact. energy: 3.377
local terms energy: -144.660745
where:
bonds (distance) C4'-P energy: -42.146
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: 3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -958.481471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.481471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.481471 (E_RNA)
where:
Base-Base interactions energy: -665.187
where: short stacking energy: -278.451
Base-Backbone interact. energy: -0.575
local terms energy: -292.719808
where:
bonds (distance) C4'-P energy: -44.941
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -67.689
flat angles P-C4'-P energy: -44.763
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: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -938.868009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.868009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.868009 (E_RNA)
where:
Base-Base interactions energy: -653.311
where: short stacking energy: -274.400
Base-Backbone interact. energy: -0.328
local terms energy: -285.228648
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -80.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -932.893002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.893002 (E_RNA)
where:
Base-Base interactions energy: -646.749
where: short stacking energy: -280.829
Base-Backbone interact. energy: -1.283
local terms energy: -284.861419
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -59.612
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -89.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -812.474726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.474726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.474726 (E_RNA)
where:
Base-Base interactions energy: -558.730
where: short stacking energy: -236.678
Base-Backbone interact. energy: -0.675
local terms energy: -253.069764
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -54.750
flat angles P-C4'-P energy: -39.220
tors. eta vs tors. theta energy: -58.063
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: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -809.006544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.006544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.006544 (E_RNA)
where:
Base-Base interactions energy: -539.584
where: short stacking energy: -218.561
Base-Backbone interact. energy: -2.993
local terms energy: -266.430313
where:
bonds (distance) C4'-P energy: -40.664
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -62.809
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -65.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -746.621494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.621494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.621494 (E_RNA)
where:
Base-Base interactions energy: -509.043
where: short stacking energy: -214.228
Base-Backbone interact. energy: -0.499
local terms energy: -237.080382
where:
bonds (distance) C4'-P energy: -47.020
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: -51.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -729.180844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.180844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.180844 (E_RNA)
where:
Base-Base interactions energy: -495.635
where: short stacking energy: -222.064
Base-Backbone interact. energy: -0.918
local terms energy: -232.627641
where:
bonds (distance) C4'-P energy: -43.506
bonds (distance) P-C4' energy: -52.766
flat angles C4'-P-C4' energy: -44.884
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -56.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -640.579298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.579298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.579298 (E_RNA)
where:
Base-Base interactions energy: -415.719
where: short stacking energy: -183.383
Base-Backbone interact. energy: 1.029
local terms energy: -225.888483
where:
bonds (distance) C4'-P energy: -46.699
bonds (distance) P-C4' energy: -38.629
flat angles C4'-P-C4' energy: -54.215
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -47.659
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: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -475.467251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.467251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.467251 (E_RNA)
where:
Base-Base interactions energy: -301.893
where: short stacking energy: -136.539
Base-Backbone interact. energy: -1.074
local terms energy: -172.499485
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -36.671
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -30.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -221.641429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641429 (E_RNA)
where:
Base-Base interactions energy: -80.462
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.209
local terms energy: -140.970480
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -40.953
flat angles C4'-P-C4' energy: -38.933
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: 0.602
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: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -963.804406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.804406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.804406 (E_RNA)
where:
Base-Base interactions energy: -668.845
where: short stacking energy: -297.521
Base-Backbone interact. energy: -1.153
local terms energy: -293.806689
where:
bonds (distance) C4'-P energy: -56.324
bonds (distance) P-C4' energy: -51.425
flat angles C4'-P-C4' energy: -58.020
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: -92.197
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: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -951.251126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.251126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.251126 (E_RNA)
where:
Base-Base interactions energy: -669.992
where: short stacking energy: -275.815
Base-Backbone interact. energy: 1.042
local terms energy: -282.301067
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -47.936
flat angles C4'-P-C4' energy: -58.102
flat angles P-C4'-P energy: -45.726
tors. eta vs tors. theta energy: -81.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -935.122621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.122621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.122621 (E_RNA)
where:
Base-Base interactions energy: -652.998
where: short stacking energy: -281.902
Base-Backbone interact. energy: -0.600
local terms energy: -281.524525
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -55.638
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -88.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -840.192381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.192381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.192381 (E_RNA)
where:
Base-Base interactions energy: -583.307
where: short stacking energy: -231.348
Base-Backbone interact. energy: -1.409
local terms energy: -255.476554
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -58.244
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -64.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -812.439189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.439189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.439189 (E_RNA)
where:
Base-Base interactions energy: -561.178
where: short stacking energy: -227.501
Base-Backbone interact. energy: -3.199
local terms energy: -248.062764
where:
bonds (distance) C4'-P energy: -47.114
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -61.635
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -65.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -791.916653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.916653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.916653 (E_RNA)
where:
Base-Base interactions energy: -552.943
where: short stacking energy: -231.270
Base-Backbone interact. energy: -0.701
local terms energy: -238.272166
where:
bonds (distance) C4'-P energy: -44.309
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -57.277
flat angles P-C4'-P energy: -31.670
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: 223
Temperature: 1.200000
Total energy: -728.476104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.476104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.476104 (E_RNA)
where:
Base-Base interactions energy: -490.181
where: short stacking energy: -203.791
Base-Backbone interact. energy: 3.370
local terms energy: -241.665145
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -43.717
tors. eta vs tors. theta energy: -46.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -671.200620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.200620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.200620 (E_RNA)
where:
Base-Base interactions energy: -442.898
where: short stacking energy: -184.285
Base-Backbone interact. energy: -1.106
local terms energy: -227.196266
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -47.568
flat angles C4'-P-C4' energy: -52.378
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -43.794
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: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -505.072972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.072972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.072972 (E_RNA)
where:
Base-Base interactions energy: -321.667
where: short stacking energy: -144.073
Base-Backbone interact. energy: -0.801
local terms energy: -182.605098
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -22.987
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: 223
Temperature: 1.350000
Total energy: -236.129209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.129209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.129209 (E_RNA)
where:
Base-Base interactions energy: -106.570
where: short stacking energy: -93.285
Base-Backbone interact. energy: -0.271
local terms energy: -129.289021
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -37.982
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: 3.121
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: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -942.496635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.496635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.496635 (E_RNA)
where:
Base-Base interactions energy: -654.384
where: short stacking energy: -275.838
Base-Backbone interact. energy: -0.447
local terms energy: -287.665690
where:
bonds (distance) C4'-P energy: -51.456
bonds (distance) P-C4' energy: -59.912
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -85.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -947.050513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.050513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.050513 (E_RNA)
where:
Base-Base interactions energy: -662.573
where: short stacking energy: -300.436
Base-Backbone interact. energy: -1.195
local terms energy: -283.282668
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -46.648
flat angles C4'-P-C4' energy: -65.327
flat angles P-C4'-P energy: -44.038
tors. eta vs tors. theta energy: -90.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -915.064925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.064925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.064925 (E_RNA)
where:
Base-Base interactions energy: -631.452
where: short stacking energy: -268.657
Base-Backbone interact. energy: 3.496
local terms energy: -287.109336
where:
bonds (distance) C4'-P energy: -54.599
bonds (distance) P-C4' energy: -57.930
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -85.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -813.050165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.050165 (E_RNA)
where:
Base-Base interactions energy: -559.646
where: short stacking energy: -233.355
Base-Backbone interact. energy: 2.133
local terms energy: -255.536686
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -62.472
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -62.161
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: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -819.474946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.474946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.474946 (E_RNA)
where:
Base-Base interactions energy: -546.137
where: short stacking energy: -235.843
Base-Backbone interact. energy: -0.779
local terms energy: -272.559345
where:
bonds (distance) C4'-P energy: -50.049
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -64.219
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -70.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -803.382382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.382382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.382382 (E_RNA)
where:
Base-Base interactions energy: -555.405
where: short stacking energy: -225.802
Base-Backbone interact. energy: -0.603
local terms energy: -247.373685
where:
bonds (distance) C4'-P energy: -50.094
bonds (distance) P-C4' energy: -55.985
flat angles C4'-P-C4' energy: -47.447
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -57.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -716.202643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.202643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.202643 (E_RNA)
where:
Base-Base interactions energy: -502.824
where: short stacking energy: -212.444
Base-Backbone interact. energy: -0.425
local terms energy: -212.953730
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -47.947
flat angles C4'-P-C4' energy: -50.681
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -44.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -688.033158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.033158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.033158 (E_RNA)
where:
Base-Base interactions energy: -475.287
where: short stacking energy: -198.888
Base-Backbone interact. energy: -1.345
local terms energy: -211.401736
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -52.435
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: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -469.817278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.817278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.817278 (E_RNA)
where:
Base-Base interactions energy: -275.631
where: short stacking energy: -135.746
Base-Backbone interact. energy: -0.552
local terms energy: -193.634213
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -49.475
flat angles C4'-P-C4' energy: -45.695
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -27.669
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: 224
Temperature: 1.350000
Total energy: -234.572894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.572894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.572894 (E_RNA)
where:
Base-Base interactions energy: -82.728
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.243
local terms energy: -151.602051
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -44.953
flat angles C4'-P-C4' energy: -46.895
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -941.149909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.149909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.149909 (E_RNA)
where:
Base-Base interactions energy: -647.288
where: short stacking energy: -264.135
Base-Backbone interact. energy: 1.392
local terms energy: -295.254172
where:
bonds (distance) C4'-P energy: -54.691
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -58.474
flat angles P-C4'-P energy: -47.361
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: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -963.755137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.755137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.755137 (E_RNA)
where:
Base-Base interactions energy: -666.835
where: short stacking energy: -292.363
Base-Backbone interact. energy: -1.205
local terms energy: -295.715393
where:
bonds (distance) C4'-P energy: -58.619
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -42.041
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: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -928.672834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.672834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.672834 (E_RNA)
where:
Base-Base interactions energy: -642.011
where: short stacking energy: -277.741
Base-Backbone interact. energy: -0.504
local terms energy: -286.157639
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -54.206
flat angles C4'-P-C4' energy: -54.923
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -83.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -844.210401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.210401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.210401 (E_RNA)
where:
Base-Base interactions energy: -593.970
where: short stacking energy: -243.132
Base-Backbone interact. energy: -1.103
local terms energy: -249.137366
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -66.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -790.873044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.873044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.873044 (E_RNA)
where:
Base-Base interactions energy: -540.908
where: short stacking energy: -228.904
Base-Backbone interact. energy: -0.134
local terms energy: -249.830705
where:
bonds (distance) C4'-P energy: -52.103
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: -62.696
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: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -802.824957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.824957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.824957 (E_RNA)
where:
Base-Base interactions energy: -549.740
where: short stacking energy: -227.068
Base-Backbone interact. energy: -1.008
local terms energy: -252.077265
where:
bonds (distance) C4'-P energy: -44.988
bonds (distance) P-C4' energy: -49.293
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -35.451
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: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -715.990324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.990324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.990324 (E_RNA)
where:
Base-Base interactions energy: -505.749
where: short stacking energy: -201.581
Base-Backbone interact. energy: -1.643
local terms energy: -208.597468
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -48.694
flat angles C4'-P-C4' energy: -46.496
flat angles P-C4'-P energy: -28.957
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -675.151759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.151759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.151759 (E_RNA)
where:
Base-Base interactions energy: -465.740
where: short stacking energy: -190.794
Base-Backbone interact. energy: -1.646
local terms energy: -207.766056
where:
bonds (distance) C4'-P energy: -39.250
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -54.022
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -38.890
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: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -484.657203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.657203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.657203 (E_RNA)
where:
Base-Base interactions energy: -296.842
where: short stacking energy: -129.884
Base-Backbone interact. energy: -0.828
local terms energy: -186.987099
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -51.063
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -221.397177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.397177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.397177 (E_RNA)
where:
Base-Base interactions energy: -102.842
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.088
local terms energy: -118.467283
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: 2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -967.703859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.703859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.703859 (E_RNA)
where:
Base-Base interactions energy: -668.976
where: short stacking energy: -284.418
Base-Backbone interact. energy: -1.409
local terms energy: -297.318805
where:
bonds (distance) C4'-P energy: -55.029
bonds (distance) P-C4' energy: -51.926
flat angles C4'-P-C4' energy: -63.088
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -88.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -944.431321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.431321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.431321 (E_RNA)
where:
Base-Base interactions energy: -656.166
where: short stacking energy: -277.442
Base-Backbone interact. energy: 1.263
local terms energy: -289.528642
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -80.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -938.640996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.640996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.640996 (E_RNA)
where:
Base-Base interactions energy: -655.304
where: short stacking energy: -273.327
Base-Backbone interact. energy: 0.448
local terms energy: -283.785726
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -58.249
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -84.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -836.021942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.021942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.021942 (E_RNA)
where:
Base-Base interactions energy: -573.862
where: short stacking energy: -234.285
Base-Backbone interact. energy: -0.107
local terms energy: -262.053198
where:
bonds (distance) C4'-P energy: -43.838
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -52.035
flat angles P-C4'-P energy: -42.935
tors. eta vs tors. theta energy: -71.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -794.144784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.144784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.144784 (E_RNA)
where:
Base-Base interactions energy: -552.857
where: short stacking energy: -243.032
Base-Backbone interact. energy: -2.120
local terms energy: -239.167699
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -58.315
flat angles C4'-P-C4' energy: -50.681
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -67.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -811.595647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.595647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.595647 (E_RNA)
where:
Base-Base interactions energy: -551.907
where: short stacking energy: -243.588
Base-Backbone interact. energy: -0.803
local terms energy: -258.885200
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -45.141
flat angles C4'-P-C4' energy: -62.308
flat angles P-C4'-P energy: -41.050
tors. eta vs tors. theta energy: -69.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -732.387779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.387779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.387779 (E_RNA)
where:
Base-Base interactions energy: -494.458
where: short stacking energy: -211.459
Base-Backbone interact. energy: -1.762
local terms energy: -236.166986
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -52.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -686.749047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.749047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.749047 (E_RNA)
where:
Base-Base interactions energy: -463.670
where: short stacking energy: -198.501
Base-Backbone interact. energy: -1.655
local terms energy: -221.424743
where:
bonds (distance) C4'-P energy: -47.105
bonds (distance) P-C4' energy: -34.822
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -38.846
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -482.684643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.684643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.684643 (E_RNA)
where:
Base-Base interactions energy: -302.297
where: short stacking energy: -140.086
Base-Backbone interact. energy: -1.496
local terms energy: -178.892166
where:
bonds (distance) C4'-P energy: -38.927
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -222.497291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.497291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.497291 (E_RNA)
where:
Base-Base interactions energy: -76.268
where: short stacking energy: -48.083
Base-Backbone interact. energy: -1.521
local terms energy: -144.708876
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -42.868
flat angles C4'-P-C4' energy: -41.474
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: 8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -964.329150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.329150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.329150 (E_RNA)
where:
Base-Base interactions energy: -669.372
where: short stacking energy: -277.748
Base-Backbone interact. energy: -1.744
local terms energy: -293.212720
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -44.266
tors. eta vs tors. theta energy: -84.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -949.367666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.367666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.367666 (E_RNA)
where:
Base-Base interactions energy: -665.218
where: short stacking energy: -279.268
Base-Backbone interact. energy: 1.952
local terms energy: -286.102462
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -58.099
flat angles C4'-P-C4' energy: -57.298
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -77.866
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -916.877182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.877182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.877182 (E_RNA)
where:
Base-Base interactions energy: -636.437
where: short stacking energy: -262.419
Base-Backbone interact. energy: -0.720
local terms energy: -279.720778
where:
bonds (distance) C4'-P energy: -43.278
bonds (distance) P-C4' energy: -50.803
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -34.711
tors. eta vs tors. theta energy: -85.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -843.154973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.154973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.154973 (E_RNA)
where:
Base-Base interactions energy: -584.327
where: short stacking energy: -254.981
Base-Backbone interact. energy: -0.970
local terms energy: -257.858028
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -53.224
flat angles C4'-P-C4' energy: -53.779
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -65.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -835.400480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.400480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.400480 (E_RNA)
where:
Base-Base interactions energy: -565.308
where: short stacking energy: -242.132
Base-Backbone interact. energy: -0.635
local terms energy: -269.457483
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -55.785
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -69.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -791.139958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.139958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.139958 (E_RNA)
where:
Base-Base interactions energy: -533.950
where: short stacking energy: -228.658
Base-Backbone interact. energy: -1.869
local terms energy: -255.320731
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -38.442
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: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -723.594983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.594983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.594983 (E_RNA)
where:
Base-Base interactions energy: -487.204
where: short stacking energy: -205.727
Base-Backbone interact. energy: -0.637
local terms energy: -235.754228
where:
bonds (distance) C4'-P energy: -43.272
bonds (distance) P-C4' energy: -46.076
flat angles C4'-P-C4' energy: -59.628
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -52.251
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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -696.725171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.725171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.725171 (E_RNA)
where:
Base-Base interactions energy: -466.503
where: short stacking energy: -200.325
Base-Backbone interact. energy: 0.721
local terms energy: -230.943994
where:
bonds (distance) C4'-P energy: -43.838
bonds (distance) P-C4' energy: -41.175
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -35.742
tors. eta vs tors. theta energy: -60.067
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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -490.468083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.468083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.468083 (E_RNA)
where:
Base-Base interactions energy: -300.147
where: short stacking energy: -161.201
Base-Backbone interact. energy: -0.633
local terms energy: -189.688303
where:
bonds (distance) C4'-P energy: -37.571
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -30.068
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: 227
Temperature: 1.350000
Total energy: -234.644098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.644098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.644098 (E_RNA)
where:
Base-Base interactions energy: -80.168
where: short stacking energy: -58.375
Base-Backbone interact. energy: 0.480
local terms energy: -154.956176
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: 5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -968.540052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.540052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.540052 (E_RNA)
where:
Base-Base interactions energy: -665.981
where: short stacking energy: -266.772
Base-Backbone interact. energy: -0.405
local terms energy: -302.154096
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -53.881
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -89.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -943.176833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.176833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.176833 (E_RNA)
where:
Base-Base interactions energy: -659.161
where: short stacking energy: -277.067
Base-Backbone interact. energy: 0.746
local terms energy: -284.761602
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -51.892
flat angles C4'-P-C4' energy: -59.149
flat angles P-C4'-P energy: -41.694
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: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -918.564202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.564202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.564202 (E_RNA)
where:
Base-Base interactions energy: -646.472
where: short stacking energy: -272.139
Base-Backbone interact. energy: -0.451
local terms energy: -271.641339
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -47.976
flat angles C4'-P-C4' energy: -61.869
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -86.904
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -805.659165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.659165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.659165 (E_RNA)
where:
Base-Base interactions energy: -555.424
where: short stacking energy: -232.490
Base-Backbone interact. energy: 1.963
local terms energy: -252.197652
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -64.758
flat angles P-C4'-P energy: -44.128
tors. eta vs tors. theta energy: -59.051
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: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -823.056736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.056736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.056736 (E_RNA)
where:
Base-Base interactions energy: -567.547
where: short stacking energy: -237.285
Base-Backbone interact. energy: -0.705
local terms energy: -254.804513
where:
bonds (distance) C4'-P energy: -50.972
bonds (distance) P-C4' energy: -49.304
flat angles C4'-P-C4' energy: -50.392
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: -66.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -803.703557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.703557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.703557 (E_RNA)
where:
Base-Base interactions energy: -557.549
where: short stacking energy: -247.962
Base-Backbone interact. energy: -0.595
local terms energy: -245.559719
where:
bonds (distance) C4'-P energy: -47.802
bonds (distance) P-C4' energy: -50.704
flat angles C4'-P-C4' energy: -45.731
flat angles P-C4'-P energy: -26.632
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: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -741.605428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.605428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.605428 (E_RNA)
where:
Base-Base interactions energy: -513.026
where: short stacking energy: -212.484
Base-Backbone interact. energy: 1.075
local terms energy: -229.654948
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -45.242
flat angles C4'-P-C4' energy: -46.684
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -55.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -684.689036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.689036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.689036 (E_RNA)
where:
Base-Base interactions energy: -472.416
where: short stacking energy: -190.544
Base-Backbone interact. energy: -0.159
local terms energy: -212.113224
where:
bonds (distance) C4'-P energy: -44.165
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -40.798
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -48.340
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: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -476.077594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.077594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.077594 (E_RNA)
where:
Base-Base interactions energy: -298.729
where: short stacking energy: -130.575
Base-Backbone interact. energy: -0.544
local terms energy: -176.804538
where:
bonds (distance) C4'-P energy: -37.921
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -33.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -222.440200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440200 (E_RNA)
where:
Base-Base interactions energy: -90.406
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.958
local terms energy: -131.075844
where:
bonds (distance) C4'-P energy: -39.730
bonds (distance) P-C4' energy: -54.771
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: 12.705
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -965.425767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.425767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.425767 (E_RNA)
where:
Base-Base interactions energy: -666.340
where: short stacking energy: -293.741
Base-Backbone interact. energy: 1.193
local terms energy: -300.278699
where:
bonds (distance) C4'-P energy: -59.762
bonds (distance) P-C4' energy: -52.273
flat angles C4'-P-C4' energy: -65.185
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -86.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -953.258850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.258850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.258850 (E_RNA)
where:
Base-Base interactions energy: -660.119
where: short stacking energy: -279.631
Base-Backbone interact. energy: -0.856
local terms energy: -292.283694
where:
bonds (distance) C4'-P energy: -56.318
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -57.195
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: -81.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -924.803299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.803299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.803299 (E_RNA)
where:
Base-Base interactions energy: -648.302
where: short stacking energy: -274.967
Base-Backbone interact. energy: -1.014
local terms energy: -275.487648
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -88.176
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -851.930631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.930631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.930631 (E_RNA)
where:
Base-Base interactions energy: -591.616
where: short stacking energy: -255.722
Base-Backbone interact. energy: 1.664
local terms energy: -261.977792
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -76.774
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: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -821.258445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.258445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.258445 (E_RNA)
where:
Base-Base interactions energy: -546.160
where: short stacking energy: -223.045
Base-Backbone interact. energy: 0.263
local terms energy: -275.361408
where:
bonds (distance) C4'-P energy: -56.454
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -62.296
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: -68.760
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: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -790.095952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.095952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.095952 (E_RNA)
where:
Base-Base interactions energy: -544.366
where: short stacking energy: -231.255
Base-Backbone interact. energy: -0.005
local terms energy: -245.725333
where:
bonds (distance) C4'-P energy: -48.107
bonds (distance) P-C4' energy: -44.215
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -69.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -744.110502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.110502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.110502 (E_RNA)
where:
Base-Base interactions energy: -517.164
where: short stacking energy: -215.772
Base-Backbone interact. energy: -0.847
local terms energy: -226.099839
where:
bonds (distance) C4'-P energy: -41.466
bonds (distance) P-C4' energy: -45.733
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -57.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -612.690910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.690910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.690910 (E_RNA)
where:
Base-Base interactions energy: -422.171
where: short stacking energy: -163.736
Base-Backbone interact. energy: -0.327
local terms energy: -190.193068
where:
bonds (distance) C4'-P energy: -43.367
bonds (distance) P-C4' energy: -39.178
flat angles C4'-P-C4' energy: -47.774
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -446.904612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.904612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.904612 (E_RNA)
where:
Base-Base interactions energy: -266.235
where: short stacking energy: -109.133
Base-Backbone interact. energy: -0.681
local terms energy: -179.989069
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -233.230568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.230568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.230568 (E_RNA)
where:
Base-Base interactions energy: -71.991
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.718
local terms energy: -160.521338
where:
bonds (distance) C4'-P energy: -50.418
bonds (distance) P-C4' energy: -46.643
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -32.609
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: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -950.510696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.510696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.510696 (E_RNA)
where:
Base-Base interactions energy: -665.316
where: short stacking energy: -290.514
Base-Backbone interact. energy: 0.381
local terms energy: -285.575888
where:
bonds (distance) C4'-P energy: -43.689
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -44.209
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: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -956.021877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.021877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.021877 (E_RNA)
where:
Base-Base interactions energy: -663.763
where: short stacking energy: -287.926
Base-Backbone interact. energy: -0.555
local terms energy: -291.703842
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -59.007
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -88.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -925.221842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.221842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.221842 (E_RNA)
where:
Base-Base interactions energy: -654.495
where: short stacking energy: -278.826
Base-Backbone interact. energy: -0.820
local terms energy: -269.906258
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -50.771
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -84.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -860.029166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.029166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.029166 (E_RNA)
where:
Base-Base interactions energy: -603.048
where: short stacking energy: -252.862
Base-Backbone interact. energy: -0.222
local terms energy: -256.759456
where:
bonds (distance) C4'-P energy: -42.809
bonds (distance) P-C4' energy: -47.707
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -72.436
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: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -776.389167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.389167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.389167 (E_RNA)
where:
Base-Base interactions energy: -528.000
where: short stacking energy: -223.080
Base-Backbone interact. energy: 4.255
local terms energy: -252.643516
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -60.978
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -60.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -782.682231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.682231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.682231 (E_RNA)
where:
Base-Base interactions energy: -537.433
where: short stacking energy: -225.984
Base-Backbone interact. energy: -0.807
local terms energy: -244.442047
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -40.361
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: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -753.132313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.132313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.132313 (E_RNA)
where:
Base-Base interactions energy: -510.998
where: short stacking energy: -218.900
Base-Backbone interact. energy: 0.392
local terms energy: -242.526513
where:
bonds (distance) C4'-P energy: -39.538
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -51.134
flat angles P-C4'-P energy: -40.229
tors. eta vs tors. theta energy: -58.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -620.530297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.530297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.530297 (E_RNA)
where:
Base-Base interactions energy: -406.423
where: short stacking energy: -175.349
Base-Backbone interact. energy: 2.375
local terms energy: -216.482147
where:
bonds (distance) C4'-P energy: -43.036
bonds (distance) P-C4' energy: -52.545
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: -41.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -442.277877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.277877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.277877 (E_RNA)
where:
Base-Base interactions energy: -264.599
where: short stacking energy: -126.082
Base-Backbone interact. energy: -0.931
local terms energy: -176.747734
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -51.104
flat angles C4'-P-C4' energy: -52.355
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -229.506900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.506900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.506900 (E_RNA)
where:
Base-Base interactions energy: -77.247
where: short stacking energy: -70.506
Base-Backbone interact. energy: 1.412
local terms energy: -153.672627
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -51.569
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: 3.310
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: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -949.456860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.456860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.456860 (E_RNA)
where:
Base-Base interactions energy: -665.749
where: short stacking energy: -288.390
Base-Backbone interact. energy: -0.949
local terms energy: -282.758635
where:
bonds (distance) C4'-P energy: -45.384
bonds (distance) P-C4' energy: -56.226
flat angles C4'-P-C4' energy: -62.486
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: -81.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -944.160427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.160427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.160427 (E_RNA)
where:
Base-Base interactions energy: -654.106
where: short stacking energy: -290.972
Base-Backbone interact. energy: 0.196
local terms energy: -290.250776
where:
bonds (distance) C4'-P energy: -54.508
bonds (distance) P-C4' energy: -47.125
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -41.047
tors. eta vs tors. theta energy: -87.750
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: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -932.270030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.270030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.270030 (E_RNA)
where:
Base-Base interactions energy: -647.409
where: short stacking energy: -256.522
Base-Backbone interact. energy: 0.313
local terms energy: -285.173682
where:
bonds (distance) C4'-P energy: -49.318
bonds (distance) P-C4' energy: -62.052
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -37.793
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -813.145597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.145597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.145597 (E_RNA)
where:
Base-Base interactions energy: -562.369
where: short stacking energy: -226.657
Base-Backbone interact. energy: -0.225
local terms energy: -250.551708
where:
bonds (distance) C4'-P energy: -47.763
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -52.342
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -60.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -774.082125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.082125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.082125 (E_RNA)
where:
Base-Base interactions energy: -524.833
where: short stacking energy: -218.774
Base-Backbone interact. energy: -1.043
local terms energy: -248.205352
where:
bonds (distance) C4'-P energy: -51.996
bonds (distance) P-C4' energy: -53.188
flat angles C4'-P-C4' energy: -57.255
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -58.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -778.666750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.666750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.666750 (E_RNA)
where:
Base-Base interactions energy: -524.589
where: short stacking energy: -217.373
Base-Backbone interact. energy: 0.816
local terms energy: -254.894382
where:
bonds (distance) C4'-P energy: -47.025
bonds (distance) P-C4' energy: -38.584
flat angles C4'-P-C4' energy: -65.325
flat angles P-C4'-P energy: -36.676
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -736.014170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.014170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.014170 (E_RNA)
where:
Base-Base interactions energy: -514.367
where: short stacking energy: -205.468
Base-Backbone interact. energy: -0.271
local terms energy: -221.375780
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -27.520
tors. eta vs tors. theta energy: -61.747
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: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -655.133468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.133468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.133468 (E_RNA)
where:
Base-Base interactions energy: -427.968
where: short stacking energy: -191.603
Base-Backbone interact. energy: -0.151
local terms energy: -227.014325
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -42.191
flat angles C4'-P-C4' energy: -48.536
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -53.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -475.250924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.250924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.250924 (E_RNA)
where:
Base-Base interactions energy: -283.337
where: short stacking energy: -123.119
Base-Backbone interact. energy: 0.856
local terms energy: -192.769301
where:
bonds (distance) C4'-P energy: -48.523
bonds (distance) P-C4' energy: -30.554
flat angles C4'-P-C4' energy: -49.387
flat angles P-C4'-P energy: -36.988
tors. eta vs tors. theta energy: -27.316
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: 231
Temperature: 1.350000
Total energy: -217.152519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.152519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.152519 (E_RNA)
where:
Base-Base interactions energy: -79.821
where: short stacking energy: -65.970
Base-Backbone interact. energy: -2.058
local terms energy: -135.273632
where:
bonds (distance) C4'-P energy: -44.258
bonds (distance) P-C4' energy: -45.199
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: 7.009
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: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -991.743321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.743321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.743321 (E_RNA)
where:
Base-Base interactions energy: -685.187
where: short stacking energy: -289.177
Base-Backbone interact. energy: -0.327
local terms energy: -306.229573
where:
bonds (distance) C4'-P energy: -56.291
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -65.799
flat angles P-C4'-P energy: -46.512
tors. eta vs tors. theta energy: -85.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -943.133869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.133869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.133869 (E_RNA)
where:
Base-Base interactions energy: -658.186
where: short stacking energy: -290.839
Base-Backbone interact. energy: -0.634
local terms energy: -284.313413
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -59.720
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -87.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -917.318313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.318313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.318313 (E_RNA)
where:
Base-Base interactions energy: -632.174
where: short stacking energy: -247.352
Base-Backbone interact. energy: -1.838
local terms energy: -283.306648
where:
bonds (distance) C4'-P energy: -57.591
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -39.247
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -852.541682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.541682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.541682 (E_RNA)
where:
Base-Base interactions energy: -572.010
where: short stacking energy: -247.882
Base-Backbone interact. energy: 1.735
local terms energy: -282.266716
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -53.353
flat angles C4'-P-C4' energy: -56.782
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -74.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -810.416764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.416764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.416764 (E_RNA)
where:
Base-Base interactions energy: -540.996
where: short stacking energy: -223.450
Base-Backbone interact. energy: -1.283
local terms energy: -268.137340
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -55.435
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -61.553
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: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -767.917438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.917438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.917438 (E_RNA)
where:
Base-Base interactions energy: -534.827
where: short stacking energy: -233.046
Base-Backbone interact. energy: 0.573
local terms energy: -233.663203
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -46.244
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -70.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -740.329727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.329727 (E_RNA)
where:
Base-Base interactions energy: -495.771
where: short stacking energy: -208.008
Base-Backbone interact. energy: 5.768
local terms energy: -250.326646
where:
bonds (distance) C4'-P energy: -50.373
bonds (distance) P-C4' energy: -54.359
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -51.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -685.356222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.356222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.356222 (E_RNA)
where:
Base-Base interactions energy: -455.159
where: short stacking energy: -182.194
Base-Backbone interact. energy: -0.789
local terms energy: -229.408360
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -39.867
tors. eta vs tors. theta energy: -45.143
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: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -480.323404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.323404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.323404 (E_RNA)
where:
Base-Base interactions energy: -294.070
where: short stacking energy: -132.935
Base-Backbone interact. energy: -0.466
local terms energy: -185.787438
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -37.048
flat angles C4'-P-C4' energy: -45.807
flat angles P-C4'-P energy: -31.994
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -210.790080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.790080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.790080 (E_RNA)
where:
Base-Base interactions energy: -67.167
where: short stacking energy: -54.828
Base-Backbone interact. energy: 1.833
local terms energy: -145.456361
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -46.548
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: 1.877
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: 233
Temperature: 0.900000
Total energy: -978.593110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.593110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.593110 (E_RNA)
where:
Base-Base interactions energy: -676.436
where: short stacking energy: -283.125
Base-Backbone interact. energy: -0.329
local terms energy: -301.827617
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -64.787
flat angles P-C4'-P energy: -44.151
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: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -920.768373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.768373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.768373 (E_RNA)
where:
Base-Base interactions energy: -637.605
where: short stacking energy: -266.109
Base-Backbone interact. energy: -0.955
local terms energy: -282.208435
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -57.517
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -46.572
tors. eta vs tors. theta energy: -75.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -922.716390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.716390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.716390 (E_RNA)
where:
Base-Base interactions energy: -633.374
where: short stacking energy: -276.009
Base-Backbone interact. energy: -0.185
local terms energy: -289.156878
where:
bonds (distance) C4'-P energy: -48.890
bonds (distance) P-C4' energy: -49.261
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -43.195
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: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -832.981624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.981624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.981624 (E_RNA)
where:
Base-Base interactions energy: -575.452
where: short stacking energy: -240.960
Base-Backbone interact. energy: -1.486
local terms energy: -256.043682
where:
bonds (distance) C4'-P energy: -41.430
bonds (distance) P-C4' energy: -48.533
flat angles C4'-P-C4' energy: -59.824
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -66.941
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: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -828.231882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.231882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.231882 (E_RNA)
where:
Base-Base interactions energy: -572.367
where: short stacking energy: -242.757
Base-Backbone interact. energy: -0.465
local terms energy: -255.400416
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -51.704
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -71.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -778.232729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.232729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.232729 (E_RNA)
where:
Base-Base interactions energy: -537.231
where: short stacking energy: -230.050
Base-Backbone interact. energy: -0.561
local terms energy: -240.440784
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -52.854
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -60.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -766.286490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.286490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.286490 (E_RNA)
where:
Base-Base interactions energy: -519.345
where: short stacking energy: -221.263
Base-Backbone interact. energy: -1.367
local terms energy: -245.575382
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -44.749
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -61.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -727.195617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.195617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.195617 (E_RNA)
where:
Base-Base interactions energy: -474.574
where: short stacking energy: -200.205
Base-Backbone interact. energy: -0.875
local terms energy: -251.746104
where:
bonds (distance) C4'-P energy: -46.718
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -50.982
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -55.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -472.704247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.704247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.704247 (E_RNA)
where:
Base-Base interactions energy: -267.138
where: short stacking energy: -139.982
Base-Backbone interact. energy: 0.937
local terms energy: -206.503524
where:
bonds (distance) C4'-P energy: -46.426
bonds (distance) P-C4' energy: -49.462
flat angles C4'-P-C4' energy: -42.487
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -31.107
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: 233
Temperature: 1.350000
Total energy: -253.242869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.242869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.242869 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -83.644
Base-Backbone interact. energy: -0.861
local terms energy: -135.625438
where:
bonds (distance) C4'-P energy: -41.698
bonds (distance) P-C4' energy: -42.818
flat angles C4'-P-C4' energy: -39.008
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: 7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -978.281183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.281183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.281183 (E_RNA)
where:
Base-Base interactions energy: -679.728
where: short stacking energy: -293.850
Base-Backbone interact. energy: -0.604
local terms energy: -297.949197
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -53.154
flat angles C4'-P-C4' energy: -67.065
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -88.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -934.480288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.480288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.480288 (E_RNA)
where:
Base-Base interactions energy: -654.058
where: short stacking energy: -258.002
Base-Backbone interact. energy: 0.425
local terms energy: -280.847383
where:
bonds (distance) C4'-P energy: -53.983
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: -74.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -946.456040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.456040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.456040 (E_RNA)
where:
Base-Base interactions energy: -657.505
where: short stacking energy: -273.815
Base-Backbone interact. energy: -0.435
local terms energy: -288.516061
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -47.284
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -41.959
tors. eta vs tors. theta energy: -86.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -848.810602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.810602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.810602 (E_RNA)
where:
Base-Base interactions energy: -586.612
where: short stacking energy: -256.785
Base-Backbone interact. energy: 2.201
local terms energy: -264.399227
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -34.393
tors. eta vs tors. theta energy: -73.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -809.824914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.824914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.824914 (E_RNA)
where:
Base-Base interactions energy: -551.216
where: short stacking energy: -232.447
Base-Backbone interact. energy: -2.491
local terms energy: -256.118097
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -38.082
tors. eta vs tors. theta energy: -63.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -761.994265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.994265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.994265 (E_RNA)
where:
Base-Base interactions energy: -512.828
where: short stacking energy: -227.076
Base-Backbone interact. energy: -2.009
local terms energy: -247.157093
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -46.092
flat angles C4'-P-C4' energy: -60.404
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: -58.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -753.849028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.849028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.849028 (E_RNA)
where:
Base-Base interactions energy: -509.333
where: short stacking energy: -214.971
Base-Backbone interact. energy: -1.397
local terms energy: -243.118880
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -53.513
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -60.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -703.909228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.909228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.909228 (E_RNA)
where:
Base-Base interactions energy: -482.173
where: short stacking energy: -223.244
Base-Backbone interact. energy: -0.790
local terms energy: -220.946014
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -47.464
flat angles C4'-P-C4' energy: -40.161
flat angles P-C4'-P energy: -37.273
tors. eta vs tors. theta energy: -60.111
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: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -452.466218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.466218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.466218 (E_RNA)
where:
Base-Base interactions energy: -259.898
where: short stacking energy: -112.251
Base-Backbone interact. energy: 1.150
local terms energy: -193.717690
where:
bonds (distance) C4'-P energy: -45.052
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -43.892
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -23.166
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: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -248.406083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.406083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.406083 (E_RNA)
where:
Base-Base interactions energy: -95.088
where: short stacking energy: -76.607
Base-Backbone interact. energy: 0.788
local terms energy: -154.105395
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -43.612
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -36.226
tors. eta vs tors. theta energy: 7.001
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -985.648337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.648337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.648337 (E_RNA)
where:
Base-Base interactions energy: -682.878
where: short stacking energy: -295.547
Base-Backbone interact. energy: -0.955
local terms energy: -301.815089
where:
bonds (distance) C4'-P energy: -52.863
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -92.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -951.441399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.441399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.441399 (E_RNA)
where:
Base-Base interactions energy: -660.816
where: short stacking energy: -297.394
Base-Backbone interact. energy: 1.655
local terms energy: -292.280180
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -54.291
flat angles C4'-P-C4' energy: -59.245
flat angles P-C4'-P energy: -40.145
tors. eta vs tors. theta energy: -90.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -912.417606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.417606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.417606 (E_RNA)
where:
Base-Base interactions energy: -640.394
where: short stacking energy: -261.716
Base-Backbone interact. energy: -1.319
local terms energy: -270.704369
where:
bonds (distance) C4'-P energy: -42.819
bonds (distance) P-C4' energy: -49.395
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -40.911
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: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -854.595251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.595251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.595251 (E_RNA)
where:
Base-Base interactions energy: -582.216
where: short stacking energy: -246.547
Base-Backbone interact. energy: 0.088
local terms energy: -272.467044
where:
bonds (distance) C4'-P energy: -57.257
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -66.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -821.594532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.594532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.594532 (E_RNA)
where:
Base-Base interactions energy: -587.003
where: short stacking energy: -247.508
Base-Backbone interact. energy: -0.747
local terms energy: -233.844691
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -42.824
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -69.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -770.821312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.821312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.821312 (E_RNA)
where:
Base-Base interactions energy: -519.296
where: short stacking energy: -211.752
Base-Backbone interact. energy: -1.017
local terms energy: -250.508291
where:
bonds (distance) C4'-P energy: -44.751
bonds (distance) P-C4' energy: -52.957
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -63.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -745.214225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.214225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.214225 (E_RNA)
where:
Base-Base interactions energy: -504.275
where: short stacking energy: -213.170
Base-Backbone interact. energy: -1.051
local terms energy: -239.888699
where:
bonds (distance) C4'-P energy: -50.592
bonds (distance) P-C4' energy: -48.388
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -54.502
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: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -694.772618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.772618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.772618 (E_RNA)
where:
Base-Base interactions energy: -494.233
where: short stacking energy: -217.861
Base-Backbone interact. energy: -1.732
local terms energy: -198.806996
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -44.005
flat angles C4'-P-C4' energy: -37.534
flat angles P-C4'-P energy: -27.983
tors. eta vs tors. theta energy: -55.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -458.794659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.794659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.794659 (E_RNA)
where:
Base-Base interactions energy: -261.295
where: short stacking energy: -128.058
Base-Backbone interact. energy: 1.238
local terms energy: -198.737685
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -53.655
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -29.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -220.404484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.404484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.404484 (E_RNA)
where:
Base-Base interactions energy: -65.139
where: short stacking energy: -52.272
Base-Backbone interact. energy: -0.759
local terms energy: -154.506366
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -40.764
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: 19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -974.181198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.181198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.181198 (E_RNA)
where:
Base-Base interactions energy: -666.862
where: short stacking energy: -286.336
Base-Backbone interact. energy: -1.339
local terms energy: -305.979443
where:
bonds (distance) C4'-P energy: -52.236
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -51.040
tors. eta vs tors. theta energy: -91.238
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: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -950.382111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.382111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.382111 (E_RNA)
where:
Base-Base interactions energy: -656.309
where: short stacking energy: -272.393
Base-Backbone interact. energy: -1.112
local terms energy: -292.960646
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -50.697
flat angles C4'-P-C4' energy: -60.239
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -88.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -937.887792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.887792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.887792 (E_RNA)
where:
Base-Base interactions energy: -652.477
where: short stacking energy: -268.666
Base-Backbone interact. energy: 0.399
local terms energy: -285.810364
where:
bonds (distance) C4'-P energy: -51.545
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -60.237
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -82.662
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: 236
Temperature: 1.050000
Total energy: -823.174268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.174268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.174268 (E_RNA)
where:
Base-Base interactions energy: -564.516
where: short stacking energy: -247.605
Base-Backbone interact. energy: -0.649
local terms energy: -258.008992
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -41.280
tors. eta vs tors. theta energy: -70.271
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: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -818.953016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.953016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.953016 (E_RNA)
where:
Base-Base interactions energy: -562.827
where: short stacking energy: -253.158
Base-Backbone interact. energy: 0.323
local terms energy: -256.448075
where:
bonds (distance) C4'-P energy: -42.231
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -68.870
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: 236
Temperature: 1.150000
Total energy: -792.264208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.264208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.264208 (E_RNA)
where:
Base-Base interactions energy: -528.667
where: short stacking energy: -231.314
Base-Backbone interact. energy: -0.165
local terms energy: -263.431866
where:
bonds (distance) C4'-P energy: -48.790
bonds (distance) P-C4' energy: -49.389
flat angles C4'-P-C4' energy: -53.178
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -73.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -731.108693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.108693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.108693 (E_RNA)
where:
Base-Base interactions energy: -509.899
where: short stacking energy: -201.989
Base-Backbone interact. energy: -1.513
local terms energy: -219.696193
where:
bonds (distance) C4'-P energy: -43.708
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -44.833
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -718.787542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.787542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.787542 (E_RNA)
where:
Base-Base interactions energy: -487.859
where: short stacking energy: -205.105
Base-Backbone interact. energy: -1.629
local terms energy: -229.299813
where:
bonds (distance) C4'-P energy: -43.366
bonds (distance) P-C4' energy: -54.680
flat angles C4'-P-C4' energy: -49.208
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -51.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -476.160895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.160895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.160895 (E_RNA)
where:
Base-Base interactions energy: -281.282
where: short stacking energy: -144.255
Base-Backbone interact. energy: 0.814
local terms energy: -195.692362
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -31.608
tors. eta vs tors. theta energy: -26.906
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: 236
Temperature: 1.350000
Total energy: -234.131091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.131091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.131091 (E_RNA)
where:
Base-Base interactions energy: -102.648
where: short stacking energy: -88.306
Base-Backbone interact. energy: 2.092
local terms energy: -133.575532
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -34.290
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -955.991759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.991759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.991759 (E_RNA)
where:
Base-Base interactions energy: -662.033
where: short stacking energy: -298.261
Base-Backbone interact. energy: 0.335
local terms energy: -294.293471
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -55.628
flat angles C4'-P-C4' energy: -60.692
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -95.018
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: 237
Temperature: 0.950000
Total energy: -935.844863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.844863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.844863 (E_RNA)
where:
Base-Base interactions energy: -644.548
where: short stacking energy: -283.881
Base-Backbone interact. energy: -1.657
local terms energy: -289.639872
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -50.444
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -83.019
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: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -910.928357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.928357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.928357 (E_RNA)
where:
Base-Base interactions energy: -642.899
where: short stacking energy: -256.082
Base-Backbone interact. energy: 3.928
local terms energy: -271.957242
where:
bonds (distance) C4'-P energy: -42.847
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -56.769
flat angles P-C4'-P energy: -46.851
tors. eta vs tors. theta energy: -69.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -832.280827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.280827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.280827 (E_RNA)
where:
Base-Base interactions energy: -569.801
where: short stacking energy: -238.378
Base-Backbone interact. energy: 1.391
local terms energy: -263.870338
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -57.289
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -68.068
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -836.218659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.218659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.218659 (E_RNA)
where:
Base-Base interactions energy: -567.214
where: short stacking energy: -238.400
Base-Backbone interact. energy: -1.170
local terms energy: -267.834634
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -74.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -776.981480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.981480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.981480 (E_RNA)
where:
Base-Base interactions energy: -531.729
where: short stacking energy: -224.762
Base-Backbone interact. energy: -0.714
local terms energy: -244.538344
where:
bonds (distance) C4'-P energy: -46.916
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -39.089
tors. eta vs tors. theta energy: -63.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -762.028613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.028613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.028613 (E_RNA)
where:
Base-Base interactions energy: -523.638
where: short stacking energy: -216.643
Base-Backbone interact. energy: 0.050
local terms energy: -238.441368
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -54.228
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -58.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -726.786478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.786478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.786478 (E_RNA)
where:
Base-Base interactions energy: -485.384
where: short stacking energy: -201.634
Base-Backbone interact. energy: -1.302
local terms energy: -240.100789
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -57.046
flat angles P-C4'-P energy: -32.626
tors. eta vs tors. theta energy: -49.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -483.368242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.368242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.368242 (E_RNA)
where:
Base-Base interactions energy: -285.205
where: short stacking energy: -144.524
Base-Backbone interact. energy: -0.626
local terms energy: -197.537314
where:
bonds (distance) C4'-P energy: -47.226
bonds (distance) P-C4' energy: -50.822
flat angles C4'-P-C4' energy: -46.634
flat angles P-C4'-P energy: -26.620
tors. eta vs tors. theta energy: -26.235
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: 237
Temperature: 1.350000
Total energy: -224.154891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.154891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.154891 (E_RNA)
where:
Base-Base interactions energy: -83.901
where: short stacking energy: -79.451
Base-Backbone interact. energy: 1.660
local terms energy: -141.913358
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -39.458
flat angles C4'-P-C4' energy: -41.628
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -954.573070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.573070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.573070 (E_RNA)
where:
Base-Base interactions energy: -661.851
where: short stacking energy: -285.412
Base-Backbone interact. energy: -0.412
local terms energy: -292.310573
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -58.133
flat angles P-C4'-P energy: -44.514
tors. eta vs tors. theta energy: -91.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -934.906854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.906854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.906854 (E_RNA)
where:
Base-Base interactions energy: -646.242
where: short stacking energy: -263.621
Base-Backbone interact. energy: -1.671
local terms energy: -286.993311
where:
bonds (distance) C4'-P energy: -47.143
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -57.526
flat angles P-C4'-P energy: -40.624
tors. eta vs tors. theta energy: -80.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -923.978820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.978820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.978820 (E_RNA)
where:
Base-Base interactions energy: -640.898
where: short stacking energy: -262.344
Base-Backbone interact. energy: 1.690
local terms energy: -284.770439
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -55.532
flat angles C4'-P-C4' energy: -58.013
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -76.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -816.068705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.068705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.068705 (E_RNA)
where:
Base-Base interactions energy: -574.980
where: short stacking energy: -237.552
Base-Backbone interact. energy: -1.450
local terms energy: -239.638507
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -33.870
tors. eta vs tors. theta energy: -61.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -796.067441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.067441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.067441 (E_RNA)
where:
Base-Base interactions energy: -541.501
where: short stacking energy: -234.213
Base-Backbone interact. energy: 0.459
local terms energy: -255.025886
where:
bonds (distance) C4'-P energy: -46.825
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -50.690
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -67.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -804.500320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.500320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.500320 (E_RNA)
where:
Base-Base interactions energy: -535.051
where: short stacking energy: -218.459
Base-Backbone interact. energy: -0.270
local terms energy: -269.178880
where:
bonds (distance) C4'-P energy: -52.981
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: -68.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -771.810079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.810079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.810079 (E_RNA)
where:
Base-Base interactions energy: -545.091
where: short stacking energy: -233.986
Base-Backbone interact. energy: 0.669
local terms energy: -227.387823
where:
bonds (distance) C4'-P energy: -39.358
bonds (distance) P-C4' energy: -48.664
flat angles C4'-P-C4' energy: -47.292
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -63.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -685.320247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.320247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.320247 (E_RNA)
where:
Base-Base interactions energy: -472.896
where: short stacking energy: -205.601
Base-Backbone interact. energy: 0.219
local terms energy: -212.643197
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -46.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -524.778751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.778751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.778751 (E_RNA)
where:
Base-Base interactions energy: -323.785
where: short stacking energy: -149.634
Base-Backbone interact. energy: 0.479
local terms energy: -201.473153
where:
bonds (distance) C4'-P energy: -41.156
bonds (distance) P-C4' energy: -48.281
flat angles C4'-P-C4' energy: -44.000
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -44.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -245.578373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.578373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.578373 (E_RNA)
where:
Base-Base interactions energy: -110.986
where: short stacking energy: -58.939
Base-Backbone interact. energy: 0.561
local terms energy: -135.153910
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -24.838
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: 5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -987.106694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.106694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.106694 (E_RNA)
where:
Base-Base interactions energy: -679.618
where: short stacking energy: -298.253
Base-Backbone interact. energy: -1.100
local terms energy: -306.388923
where:
bonds (distance) C4'-P energy: -47.193
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -90.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -933.927652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.927652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.927652 (E_RNA)
where:
Base-Base interactions energy: -654.512
where: short stacking energy: -260.736
Base-Backbone interact. energy: 3.132
local terms energy: -282.547909
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -62.666
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -78.791
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -907.690451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.690451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.690451 (E_RNA)
where:
Base-Base interactions energy: -629.657
where: short stacking energy: -269.121
Base-Backbone interact. energy: -0.501
local terms energy: -277.533142
where:
bonds (distance) C4'-P energy: -56.150
bonds (distance) P-C4' energy: -36.589
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -81.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -836.622497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.622497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.622497 (E_RNA)
where:
Base-Base interactions energy: -577.671
where: short stacking energy: -247.552
Base-Backbone interact. energy: -1.009
local terms energy: -257.942556
where:
bonds (distance) C4'-P energy: -46.792
bonds (distance) P-C4' energy: -42.995
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -47.928
tors. eta vs tors. theta energy: -66.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -814.496226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.496226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.496226 (E_RNA)
where:
Base-Base interactions energy: -559.509
where: short stacking energy: -253.348
Base-Backbone interact. energy: -0.545
local terms energy: -254.441909
where:
bonds (distance) C4'-P energy: -49.089
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -34.128
tors. eta vs tors. theta energy: -63.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -807.424773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.424773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.424773 (E_RNA)
where:
Base-Base interactions energy: -542.068
where: short stacking energy: -236.471
Base-Backbone interact. energy: -0.613
local terms energy: -264.743857
where:
bonds (distance) C4'-P energy: -53.330
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -53.590
flat angles P-C4'-P energy: -27.903
tors. eta vs tors. theta energy: -75.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -756.445661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.445661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.445661 (E_RNA)
where:
Base-Base interactions energy: -524.095
where: short stacking energy: -217.252
Base-Backbone interact. energy: 2.958
local terms energy: -235.308681
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -46.482
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -60.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -540.974306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.974306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.974306 (E_RNA)
where:
Base-Base interactions energy: -320.411
where: short stacking energy: -146.702
Base-Backbone interact. energy: -0.614
local terms energy: -219.949090
where:
bonds (distance) C4'-P energy: -50.370
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -51.578
flat angles P-C4'-P energy: -30.514
tors. eta vs tors. theta energy: -39.340
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: 239
Temperature: 1.300000
Total energy: -638.722591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.722591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.722591 (E_RNA)
where:
Base-Base interactions energy: -432.404
where: short stacking energy: -189.713
Base-Backbone interact. energy: -1.529
local terms energy: -204.789973
where:
bonds (distance) C4'-P energy: -39.780
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -48.163
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: -38.190
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: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -243.651646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.651646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.651646 (E_RNA)
where:
Base-Base interactions energy: -109.773
where: short stacking energy: -61.384
Base-Backbone interact. energy: 2.933
local terms energy: -136.811087
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -35.454
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: 8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -987.591893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.591893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.591893 (E_RNA)
where:
Base-Base interactions energy: -682.268
where: short stacking energy: -305.408
Base-Backbone interact. energy: -1.952
local terms energy: -303.371274
where:
bonds (distance) C4'-P energy: -54.429
bonds (distance) P-C4' energy: -53.386
flat angles C4'-P-C4' energy: -64.825
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -92.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -943.487587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.487587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.487587 (E_RNA)
where:
Base-Base interactions energy: -654.514
where: short stacking energy: -253.864
Base-Backbone interact. energy: -1.600
local terms energy: -287.374284
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -59.256
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -76.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -938.250931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.250931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.250931 (E_RNA)
where:
Base-Base interactions energy: -655.754
where: short stacking energy: -285.712
Base-Backbone interact. energy: 0.687
local terms energy: -283.183792
where:
bonds (distance) C4'-P energy: -45.018
bonds (distance) P-C4' energy: -51.152
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -87.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -819.220446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.220446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.220446 (E_RNA)
where:
Base-Base interactions energy: -569.318
where: short stacking energy: -243.070
Base-Backbone interact. energy: -0.446
local terms energy: -249.456966
where:
bonds (distance) C4'-P energy: -43.455
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -66.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -816.780413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.780413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.780413 (E_RNA)
where:
Base-Base interactions energy: -545.862
where: short stacking energy: -236.369
Base-Backbone interact. energy: 1.734
local terms energy: -272.652547
where:
bonds (distance) C4'-P energy: -46.915
bonds (distance) P-C4' energy: -60.303
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -63.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -753.561989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.561989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.561989 (E_RNA)
where:
Base-Base interactions energy: -505.212
where: short stacking energy: -223.108
Base-Backbone interact. energy: -0.395
local terms energy: -247.954925
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -50.366
flat angles C4'-P-C4' energy: -56.187
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -58.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -719.859000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.859000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.859000 (E_RNA)
where:
Base-Base interactions energy: -480.610
where: short stacking energy: -211.692
Base-Backbone interact. energy: -0.049
local terms energy: -239.200355
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -55.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -534.474872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.474872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.474872 (E_RNA)
where:
Base-Base interactions energy: -326.406
where: short stacking energy: -146.305
Base-Backbone interact. energy: 0.343
local terms energy: -208.411833
where:
bonds (distance) C4'-P energy: -52.760
bonds (distance) P-C4' energy: -51.794
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: -30.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -628.503084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.503084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.503084 (E_RNA)
where:
Base-Base interactions energy: -423.454
where: short stacking energy: -186.555
Base-Backbone interact. energy: 0.626
local terms energy: -205.675196
where:
bonds (distance) C4'-P energy: -51.749
bonds (distance) P-C4' energy: -40.954
flat angles C4'-P-C4' energy: -48.223
flat angles P-C4'-P energy: -27.252
tors. eta vs tors. theta energy: -37.496
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: 240
Temperature: 1.350000
Total energy: -242.751359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.751359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.751359 (E_RNA)
where:
Base-Base interactions energy: -89.768
where: short stacking energy: -68.657
Base-Backbone interact. energy: -1.788
local terms energy: -151.194786
where:
bonds (distance) C4'-P energy: -37.852
bonds (distance) P-C4' energy: -54.480
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -969.404483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.404483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.404483 (E_RNA)
where:
Base-Base interactions energy: -670.923
where: short stacking energy: -295.088
Base-Backbone interact. energy: -1.568
local terms energy: -296.912986
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -60.704
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -41.720
tors. eta vs tors. theta energy: -91.286
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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -953.407464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.407464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.407464 (E_RNA)
where:
Base-Base interactions energy: -658.600
where: short stacking energy: -274.669
Base-Backbone interact. energy: -2.237
local terms energy: -292.570517
where:
bonds (distance) C4'-P energy: -56.377
bonds (distance) P-C4' energy: -46.258
flat angles C4'-P-C4' energy: -63.221
flat angles P-C4'-P energy: -38.633
tors. eta vs tors. theta energy: -88.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -917.029197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.029197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.029197 (E_RNA)
where:
Base-Base interactions energy: -648.187
where: short stacking energy: -261.780
Base-Backbone interact. energy: 4.111
local terms energy: -272.953836
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -59.840
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -79.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -815.139803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.139803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.139803 (E_RNA)
where:
Base-Base interactions energy: -555.755
where: short stacking energy: -231.772
Base-Backbone interact. energy: 2.090
local terms energy: -261.474301
where:
bonds (distance) C4'-P energy: -52.774
bonds (distance) P-C4' energy: -51.938
flat angles C4'-P-C4' energy: -55.427
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -61.345
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: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -794.129406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.129406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.129406 (E_RNA)
where:
Base-Base interactions energy: -543.553
where: short stacking energy: -226.629
Base-Backbone interact. energy: -0.410
local terms energy: -250.166641
where:
bonds (distance) C4'-P energy: -41.680
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: -65.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -737.852023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.852023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.852023 (E_RNA)
where:
Base-Base interactions energy: -510.294
where: short stacking energy: -217.332
Base-Backbone interact. energy: -0.423
local terms energy: -227.134835
where:
bonds (distance) C4'-P energy: -44.025
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -43.622
flat angles P-C4'-P energy: -35.484
tors. eta vs tors. theta energy: -62.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -736.359091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.359091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.359091 (E_RNA)
where:
Base-Base interactions energy: -507.113
where: short stacking energy: -205.896
Base-Backbone interact. energy: 1.681
local terms energy: -230.927013
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -42.994
flat angles P-C4'-P energy: -31.122
tors. eta vs tors. theta energy: -57.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -693.045455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.045455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.045455 (E_RNA)
where:
Base-Base interactions energy: -465.025
where: short stacking energy: -195.157
Base-Backbone interact. energy: -1.013
local terms energy: -227.007602
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -50.660
flat angles C4'-P-C4' energy: -50.243
flat angles P-C4'-P energy: -34.212
tors. eta vs tors. theta energy: -51.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -549.880587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.880587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.880587 (E_RNA)
where:
Base-Base interactions energy: -352.108
where: short stacking energy: -142.812
Base-Backbone interact. energy: -1.583
local terms energy: -196.189592
where:
bonds (distance) C4'-P energy: -43.060
bonds (distance) P-C4' energy: -47.496
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -26.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -287.266640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.266640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.266640 (E_RNA)
where:
Base-Base interactions energy: -133.730
where: short stacking energy: -83.620
Base-Backbone interact. energy: -0.736
local terms energy: -152.800966
where:
bonds (distance) C4'-P energy: -44.724
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -36.575
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -971.614072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.614072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.614072 (E_RNA)
where:
Base-Base interactions energy: -667.380
where: short stacking energy: -273.545
Base-Backbone interact. energy: 0.084
local terms energy: -304.317683
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -48.865
tors. eta vs tors. theta energy: -90.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -938.213138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.213138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.213138 (E_RNA)
where:
Base-Base interactions energy: -653.971
where: short stacking energy: -277.233
Base-Backbone interact. energy: -0.866
local terms energy: -283.376117
where:
bonds (distance) C4'-P energy: -48.493
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -82.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -894.801674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.801674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.801674 (E_RNA)
where:
Base-Base interactions energy: -625.051
where: short stacking energy: -270.666
Base-Backbone interact. energy: 4.671
local terms energy: -274.422184
where:
bonds (distance) C4'-P energy: -50.226
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -59.485
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -71.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -822.893773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.893773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.893773 (E_RNA)
where:
Base-Base interactions energy: -560.663
where: short stacking energy: -233.788
Base-Backbone interact. energy: -0.563
local terms energy: -261.667684
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -53.846
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -67.515
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: 242
Temperature: 1.100000
Total energy: -798.968079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.968079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.968079 (E_RNA)
where:
Base-Base interactions energy: -566.054
where: short stacking energy: -228.342
Base-Backbone interact. energy: -1.186
local terms energy: -231.727997
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -51.081
flat angles P-C4'-P energy: -31.416
tors. eta vs tors. theta energy: -56.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -787.475860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.475860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.475860 (E_RNA)
where:
Base-Base interactions energy: -526.733
where: short stacking energy: -236.867
Base-Backbone interact. energy: -0.392
local terms energy: -260.351472
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -71.256
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: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -713.958568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.958568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.958568 (E_RNA)
where:
Base-Base interactions energy: -482.276
where: short stacking energy: -199.228
Base-Backbone interact. energy: -0.383
local terms energy: -231.300052
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -47.260
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -52.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -685.193286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.193286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.193286 (E_RNA)
where:
Base-Base interactions energy: -481.428
where: short stacking energy: -186.799
Base-Backbone interact. energy: -1.156
local terms energy: -202.609496
where:
bonds (distance) C4'-P energy: -40.116
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -54.221
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -50.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -490.067309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.067309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.067309 (E_RNA)
where:
Base-Base interactions energy: -310.376
where: short stacking energy: -136.072
Base-Backbone interact. energy: -0.547
local terms energy: -179.143726
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -41.987
flat angles C4'-P-C4' energy: -39.168
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -24.254
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: 242
Temperature: 1.350000
Total energy: -249.636230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.636230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.636230 (E_RNA)
where:
Base-Base interactions energy: -118.668
where: short stacking energy: -63.351
Base-Backbone interact. energy: -1.055
local terms energy: -129.913566
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -19.974
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: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -969.168735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.168735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.168735 (E_RNA)
where:
Base-Base interactions energy: -655.600
where: short stacking energy: -289.098
Base-Backbone interact. energy: -0.587
local terms energy: -312.981381
where:
bonds (distance) C4'-P energy: -58.443
bonds (distance) P-C4' energy: -62.779
flat angles C4'-P-C4' energy: -58.421
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -92.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -947.521552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.521552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.521552 (E_RNA)
where:
Base-Base interactions energy: -645.786
where: short stacking energy: -270.786
Base-Backbone interact. energy: -1.310
local terms energy: -300.426007
where:
bonds (distance) C4'-P energy: -61.736
bonds (distance) P-C4' energy: -53.952
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -43.328
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: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -906.136875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.136875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.136875 (E_RNA)
where:
Base-Base interactions energy: -624.769
where: short stacking energy: -268.304
Base-Backbone interact. energy: -0.875
local terms energy: -280.492872
where:
bonds (distance) C4'-P energy: -53.560
bonds (distance) P-C4' energy: -55.506
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -79.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -830.774653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.774653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.774653 (E_RNA)
where:
Base-Base interactions energy: -582.062
where: short stacking energy: -248.760
Base-Backbone interact. energy: -0.512
local terms energy: -248.200695
where:
bonds (distance) C4'-P energy: -35.501
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -60.794
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: -67.494
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: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -833.751660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.751660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.751660 (E_RNA)
where:
Base-Base interactions energy: -577.035
where: short stacking energy: -240.638
Base-Backbone interact. energy: -0.121
local terms energy: -256.595366
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -60.587
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: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -793.648220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.648220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.648220 (E_RNA)
where:
Base-Base interactions energy: -527.116
where: short stacking energy: -237.521
Base-Backbone interact. energy: -0.470
local terms energy: -266.062397
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -54.540
flat angles C4'-P-C4' energy: -61.914
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: -71.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -722.540684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.540684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.540684 (E_RNA)
where:
Base-Base interactions energy: -509.472
where: short stacking energy: -222.079
Base-Backbone interact. energy: 0.586
local terms energy: -213.654760
where:
bonds (distance) C4'-P energy: -40.932
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -28.951
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: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -725.292735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.292735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.292735 (E_RNA)
where:
Base-Base interactions energy: -487.883
where: short stacking energy: -197.292
Base-Backbone interact. energy: -1.006
local terms energy: -236.403632
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -43.843
flat angles C4'-P-C4' energy: -48.148
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -60.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -516.955729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.955729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.955729 (E_RNA)
where:
Base-Base interactions energy: -319.978
where: short stacking energy: -147.927
Base-Backbone interact. energy: 0.229
local terms energy: -197.206906
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -52.399
flat angles C4'-P-C4' energy: -42.191
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -31.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -211.844879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.844879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.844879 (E_RNA)
where:
Base-Base interactions energy: -75.638
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.691
local terms energy: -135.516281
where:
bonds (distance) C4'-P energy: -47.549
bonds (distance) P-C4' energy: -34.053
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: 4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -970.863201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.863201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.863201 (E_RNA)
where:
Base-Base interactions energy: -676.930
where: short stacking energy: -296.122
Base-Backbone interact. energy: -1.430
local terms energy: -292.503307
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -60.699
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: -90.429
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: 244
Temperature: 0.950000
Total energy: -968.456993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.456993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.456993 (E_RNA)
where:
Base-Base interactions energy: -662.109
where: short stacking energy: -294.671
Base-Backbone interact. energy: -1.576
local terms energy: -304.771442
where:
bonds (distance) C4'-P energy: -49.903
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -43.825
tors. eta vs tors. theta energy: -93.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -920.604403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.604403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.604403 (E_RNA)
where:
Base-Base interactions energy: -647.954
where: short stacking energy: -268.867
Base-Backbone interact. energy: -0.179
local terms energy: -272.471676
where:
bonds (distance) C4'-P energy: -42.372
bonds (distance) P-C4' energy: -52.886
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -78.867
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -828.576999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.576999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.576999 (E_RNA)
where:
Base-Base interactions energy: -559.563
where: short stacking energy: -233.986
Base-Backbone interact. energy: 0.228
local terms energy: -269.241830
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -55.461
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -67.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -814.919290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.919290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.919290 (E_RNA)
where:
Base-Base interactions energy: -551.722
where: short stacking energy: -243.170
Base-Backbone interact. energy: -0.482
local terms energy: -262.714524
where:
bonds (distance) C4'-P energy: -50.123
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -52.732
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -68.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -785.433993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.433993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.433993 (E_RNA)
where:
Base-Base interactions energy: -544.291
where: short stacking energy: -244.684
Base-Backbone interact. energy: -1.359
local terms energy: -239.784235
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -45.963
flat angles C4'-P-C4' energy: -44.780
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: -72.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -742.316026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.316026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.316026 (E_RNA)
where:
Base-Base interactions energy: -489.851
where: short stacking energy: -222.410
Base-Backbone interact. energy: -2.496
local terms energy: -249.969180
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -47.449
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -67.571
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: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -714.777483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.777483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.777483 (E_RNA)
where:
Base-Base interactions energy: -499.405
where: short stacking energy: -221.656
Base-Backbone interact. energy: 2.181
local terms energy: -217.553991
where:
bonds (distance) C4'-P energy: -52.206
bonds (distance) P-C4' energy: -32.469
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -53.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -524.886317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.886317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.886317 (E_RNA)
where:
Base-Base interactions energy: -331.742
where: short stacking energy: -152.179
Base-Backbone interact. energy: -0.478
local terms energy: -192.665603
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -30.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -223.137926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.137926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.137926 (E_RNA)
where:
Base-Base interactions energy: -83.190
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.957
local terms energy: -138.990376
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -42.092
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: 7.280
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: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -966.265445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.265445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.265445 (E_RNA)
where:
Base-Base interactions energy: -657.290
where: short stacking energy: -286.791
Base-Backbone interact. energy: -0.829
local terms energy: -308.146223
where:
bonds (distance) C4'-P energy: -50.597
bonds (distance) P-C4' energy: -61.300
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -90.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -948.248976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.248976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.248976 (E_RNA)
where:
Base-Base interactions energy: -644.617
where: short stacking energy: -278.152
Base-Backbone interact. energy: -1.695
local terms energy: -301.936813
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -62.124
flat angles C4'-P-C4' energy: -61.689
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -89.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -914.590201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.590201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.590201 (E_RNA)
where:
Base-Base interactions energy: -636.922
where: short stacking energy: -266.034
Base-Backbone interact. energy: -1.413
local terms energy: -276.256154
where:
bonds (distance) C4'-P energy: -46.626
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -59.895
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -77.387
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: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -836.915776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.915776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.915776 (E_RNA)
where:
Base-Base interactions energy: -565.945
where: short stacking energy: -257.692
Base-Backbone interact. energy: -1.089
local terms energy: -269.881323
where:
bonds (distance) C4'-P energy: -53.502
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -61.033
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -62.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -821.735741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.735741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.735741 (E_RNA)
where:
Base-Base interactions energy: -566.923
where: short stacking energy: -226.907
Base-Backbone interact. energy: -1.388
local terms energy: -253.424858
where:
bonds (distance) C4'-P energy: -49.473
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -32.871
tors. eta vs tors. theta energy: -66.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -766.612664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.612664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.612664 (E_RNA)
where:
Base-Base interactions energy: -525.337
where: short stacking energy: -214.583
Base-Backbone interact. energy: -3.006
local terms energy: -238.269777
where:
bonds (distance) C4'-P energy: -49.074
bonds (distance) P-C4' energy: -51.138
flat angles C4'-P-C4' energy: -43.023
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -62.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -744.031917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.031917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.031917 (E_RNA)
where:
Base-Base interactions energy: -494.443
where: short stacking energy: -223.982
Base-Backbone interact. energy: -0.373
local terms energy: -249.215346
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: -64.280
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: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -720.226008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.226008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.226008 (E_RNA)
where:
Base-Base interactions energy: -489.588
where: short stacking energy: -211.516
Base-Backbone interact. energy: -1.554
local terms energy: -229.083626
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -59.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -500.397234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.397234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.397234 (E_RNA)
where:
Base-Base interactions energy: -302.535
where: short stacking energy: -156.337
Base-Backbone interact. energy: -1.139
local terms energy: -196.722539
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -35.887
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: 245
Temperature: 1.350000
Total energy: -223.693698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.693698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.693698 (E_RNA)
where:
Base-Base interactions energy: -77.578
where: short stacking energy: -65.907
Base-Backbone interact. energy: 1.030
local terms energy: -147.145625
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -973.250674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.250674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.250674 (E_RNA)
where:
Base-Base interactions energy: -672.905
where: short stacking energy: -289.888
Base-Backbone interact. energy: -0.544
local terms energy: -299.801519
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -55.435
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: -86.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -951.489253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.489253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.489253 (E_RNA)
where:
Base-Base interactions energy: -646.380
where: short stacking energy: -284.073
Base-Backbone interact. energy: -0.293
local terms energy: -304.816798
where:
bonds (distance) C4'-P energy: -59.717
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -57.577
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -91.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -948.350032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.350032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.350032 (E_RNA)
where:
Base-Base interactions energy: -646.804
where: short stacking energy: -268.703
Base-Backbone interact. energy: 0.093
local terms energy: -301.639141
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -65.684
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -80.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -845.909081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.909081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.909081 (E_RNA)
where:
Base-Base interactions energy: -575.023
where: short stacking energy: -253.026
Base-Backbone interact. energy: -1.862
local terms energy: -269.023980
where:
bonds (distance) C4'-P energy: -52.335
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -36.853
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: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -804.738300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.738300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.738300 (E_RNA)
where:
Base-Base interactions energy: -563.590
where: short stacking energy: -235.216
Base-Backbone interact. energy: -0.170
local terms energy: -240.978272
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -58.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -772.373998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.373998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.373998 (E_RNA)
where:
Base-Base interactions energy: -521.193
where: short stacking energy: -218.383
Base-Backbone interact. energy: 1.897
local terms energy: -253.077291
where:
bonds (distance) C4'-P energy: -41.160
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -60.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -732.025238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.025238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.025238 (E_RNA)
where:
Base-Base interactions energy: -512.967
where: short stacking energy: -213.985
Base-Backbone interact. energy: 4.497
local terms energy: -223.555707
where:
bonds (distance) C4'-P energy: -43.404
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -56.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -722.905281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.905281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.905281 (E_RNA)
where:
Base-Base interactions energy: -493.028
where: short stacking energy: -201.471
Base-Backbone interact. energy: 1.854
local terms energy: -231.731490
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -43.017
flat angles C4'-P-C4' energy: -51.741
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -53.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -491.248586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.248586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.248586 (E_RNA)
where:
Base-Base interactions energy: -299.548
where: short stacking energy: -136.043
Base-Backbone interact. energy: -1.040
local terms energy: -190.660314
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -39.506
flat angles C4'-P-C4' energy: -43.313
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -31.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -225.143729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.143729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.143729 (E_RNA)
where:
Base-Base interactions energy: -88.998
where: short stacking energy: -73.053
Base-Backbone interact. energy: 12.217
local terms energy: -148.361916
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -46.376
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: 1.225
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: 247
Temperature: 0.900000
Total energy: -951.536240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.536240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.536240 (E_RNA)
where:
Base-Base interactions energy: -644.588
where: short stacking energy: -262.740
Base-Backbone interact. energy: 0.192
local terms energy: -307.140951
where:
bonds (distance) C4'-P energy: -60.872
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -68.167
flat angles P-C4'-P energy: -44.614
tors. eta vs tors. theta energy: -80.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -940.386756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.386756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.386756 (E_RNA)
where:
Base-Base interactions energy: -644.917
where: short stacking energy: -273.256
Base-Backbone interact. energy: -2.891
local terms energy: -292.578552
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -58.004
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -82.318
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -934.077709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.077709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.077709 (E_RNA)
where:
Base-Base interactions energy: -654.607
where: short stacking energy: -286.091
Base-Backbone interact. energy: 1.857
local terms energy: -281.327788
where:
bonds (distance) C4'-P energy: -43.016
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -86.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -821.558891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.558891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.558891 (E_RNA)
where:
Base-Base interactions energy: -566.134
where: short stacking energy: -243.640
Base-Backbone interact. energy: -1.074
local terms energy: -254.351309
where:
bonds (distance) C4'-P energy: -58.955
bonds (distance) P-C4' energy: -33.049
flat angles C4'-P-C4' energy: -61.823
flat angles P-C4'-P energy: -29.330
tors. eta vs tors. theta energy: -71.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -813.958208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.958208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.958208 (E_RNA)
where:
Base-Base interactions energy: -548.428
where: short stacking energy: -230.468
Base-Backbone interact. energy: -0.339
local terms energy: -265.191356
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -57.770
flat angles C4'-P-C4' energy: -55.475
flat angles P-C4'-P energy: -33.787
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: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -774.981136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.981136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.981136 (E_RNA)
where:
Base-Base interactions energy: -517.808
where: short stacking energy: -219.946
Base-Backbone interact. energy: -0.630
local terms energy: -256.542983
where:
bonds (distance) C4'-P energy: -45.356
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -35.841
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: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -737.858177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.858177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.858177 (E_RNA)
where:
Base-Base interactions energy: -499.711
where: short stacking energy: -205.437
Base-Backbone interact. energy: -1.177
local terms energy: -236.970507
where:
bonds (distance) C4'-P energy: -39.442
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -56.177
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -57.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -723.348347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.348347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.348347 (E_RNA)
where:
Base-Base interactions energy: -494.561
where: short stacking energy: -187.557
Base-Backbone interact. energy: -0.009
local terms energy: -228.779148
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -59.500
flat angles P-C4'-P energy: -27.353
tors. eta vs tors. theta energy: -54.418
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: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -467.981147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.981147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.981147 (E_RNA)
where:
Base-Base interactions energy: -293.468
where: short stacking energy: -126.301
Base-Backbone interact. energy: -2.997
local terms energy: -171.516060
where:
bonds (distance) C4'-P energy: -39.915
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -25.395
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: 247
Temperature: 1.350000
Total energy: -217.462097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.462097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.462097 (E_RNA)
where:
Base-Base interactions energy: -62.374
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.889
local terms energy: -154.199198
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -50.413
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -967.130474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.130474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.130474 (E_RNA)
where:
Base-Base interactions energy: -681.577
where: short stacking energy: -274.006
Base-Backbone interact. energy: -0.986
local terms energy: -284.567306
where:
bonds (distance) C4'-P energy: -54.339
bonds (distance) P-C4' energy: -50.330
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -80.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -954.968068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.968068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.968068 (E_RNA)
where:
Base-Base interactions energy: -651.916
where: short stacking energy: -283.208
Base-Backbone interact. energy: 0.847
local terms energy: -303.899057
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -57.931
flat angles C4'-P-C4' energy: -59.077
flat angles P-C4'-P energy: -47.009
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: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -946.209577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.209577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.209577 (E_RNA)
where:
Base-Base interactions energy: -663.688
where: short stacking energy: -284.957
Base-Backbone interact. energy: -0.910
local terms energy: -281.611706
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -51.302
flat angles C4'-P-C4' energy: -56.512
flat angles P-C4'-P energy: -40.077
tors. eta vs tors. theta energy: -87.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -828.903979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.903979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.903979 (E_RNA)
where:
Base-Base interactions energy: -566.307
where: short stacking energy: -231.725
Base-Backbone interact. energy: -1.507
local terms energy: -261.089666
where:
bonds (distance) C4'-P energy: -55.829
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -55.403
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -804.123530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.123530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.123530 (E_RNA)
where:
Base-Base interactions energy: -551.887
where: short stacking energy: -218.087
Base-Backbone interact. energy: -0.430
local terms energy: -251.806102
where:
bonds (distance) C4'-P energy: -46.162
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -45.248
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -62.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -796.045974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.045974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.045974 (E_RNA)
where:
Base-Base interactions energy: -543.223
where: short stacking energy: -223.084
Base-Backbone interact. energy: -1.148
local terms energy: -251.674719
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -39.521
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: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -738.886580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.886580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.886580 (E_RNA)
where:
Base-Base interactions energy: -506.980
where: short stacking energy: -212.346
Base-Backbone interact. energy: 0.440
local terms energy: -232.346578
where:
bonds (distance) C4'-P energy: -43.525
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -50.755
flat angles P-C4'-P energy: -28.786
tors. eta vs tors. theta energy: -55.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -703.097038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.097038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.097038 (E_RNA)
where:
Base-Base interactions energy: -485.022
where: short stacking energy: -197.179
Base-Backbone interact. energy: 0.697
local terms energy: -218.772132
where:
bonds (distance) C4'-P energy: -46.547
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -48.302
flat angles P-C4'-P energy: -35.884
tors. eta vs tors. theta energy: -51.266
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: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -461.782443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.782443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.782443 (E_RNA)
where:
Base-Base interactions energy: -275.176
where: short stacking energy: -139.481
Base-Backbone interact. energy: 1.569
local terms energy: -188.175308
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -51.353
flat angles P-C4'-P energy: -24.937
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: 248
Temperature: 1.350000
Total energy: -258.373501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.373501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.373501 (E_RNA)
where:
Base-Base interactions energy: -125.263
where: short stacking energy: -76.562
Base-Backbone interact. energy: 0.665
local terms energy: -133.775488
where:
bonds (distance) C4'-P energy: -42.573
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -0.625
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: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -975.065025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.065025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.065025 (E_RNA)
where:
Base-Base interactions energy: -684.924
where: short stacking energy: -294.993
Base-Backbone interact. energy: 0.979
local terms energy: -291.120233
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -86.534
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: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -950.992212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.992212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.992212 (E_RNA)
where:
Base-Base interactions energy: -661.443
where: short stacking energy: -288.342
Base-Backbone interact. energy: -0.366
local terms energy: -289.183138
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -64.768
flat angles P-C4'-P energy: -36.911
tors. eta vs tors. theta energy: -91.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -928.258463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.258463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.258463 (E_RNA)
where:
Base-Base interactions energy: -646.622
where: short stacking energy: -278.494
Base-Backbone interact. energy: -1.651
local terms energy: -279.985665
where:
bonds (distance) C4'-P energy: -41.964
bonds (distance) P-C4' energy: -52.168
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -89.095
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: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -837.211293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.211293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.211293 (E_RNA)
where:
Base-Base interactions energy: -583.096
where: short stacking energy: -251.644
Base-Backbone interact. energy: -0.751
local terms energy: -253.364038
where:
bonds (distance) C4'-P energy: -40.042
bonds (distance) P-C4' energy: -48.848
flat angles C4'-P-C4' energy: -47.735
flat angles P-C4'-P energy: -45.346
tors. eta vs tors. theta energy: -71.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -805.254704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.254704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.254704 (E_RNA)
where:
Base-Base interactions energy: -557.696
where: short stacking energy: -231.642
Base-Backbone interact. energy: -0.825
local terms energy: -246.733431
where:
bonds (distance) C4'-P energy: -46.753
bonds (distance) P-C4' energy: -53.611
flat angles C4'-P-C4' energy: -43.455
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -60.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -789.715631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.715631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.715631 (E_RNA)
where:
Base-Base interactions energy: -557.081
where: short stacking energy: -241.987
Base-Backbone interact. energy: -0.410
local terms energy: -232.224951
where:
bonds (distance) C4'-P energy: -47.809
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -67.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -785.381569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.381569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.381569 (E_RNA)
where:
Base-Base interactions energy: -537.092
where: short stacking energy: -217.303
Base-Backbone interact. energy: 0.231
local terms energy: -248.519649
where:
bonds (distance) C4'-P energy: -48.918
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -52.957
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -64.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -649.728794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.728794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.728794 (E_RNA)
where:
Base-Base interactions energy: -450.710
where: short stacking energy: -175.958
Base-Backbone interact. energy: -0.180
local terms energy: -198.839627
where:
bonds (distance) C4'-P energy: -45.343
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -46.170
flat angles P-C4'-P energy: -30.553
tors. eta vs tors. theta energy: -39.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -439.980539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.980539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.980539 (E_RNA)
where:
Base-Base interactions energy: -275.912
where: short stacking energy: -128.186
Base-Backbone interact. energy: -0.449
local terms energy: -163.619310
where:
bonds (distance) C4'-P energy: -41.134
bonds (distance) P-C4' energy: -36.256
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -23.630
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: 249
Temperature: 1.350000
Total energy: -284.126327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.126327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.126327 (E_RNA)
where:
Base-Base interactions energy: -126.998
where: short stacking energy: -67.651
Base-Backbone interact. energy: -1.645
local terms energy: -155.482622
where:
bonds (distance) C4'-P energy: -43.713
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -41.760
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: 6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -976.591696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.591696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.591696 (E_RNA)
where:
Base-Base interactions energy: -684.047
where: short stacking energy: -288.053
Base-Backbone interact. energy: -0.433
local terms energy: -292.111689
where:
bonds (distance) C4'-P energy: -52.747
bonds (distance) P-C4' energy: -54.864
flat angles C4'-P-C4' energy: -64.395
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -80.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -942.564033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.564033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.564033 (E_RNA)
where:
Base-Base interactions energy: -661.874
where: short stacking energy: -278.625
Base-Backbone interact. energy: 1.539
local terms energy: -282.228220
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -45.660
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -82.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -954.344089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.344089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.344089 (E_RNA)
where:
Base-Base interactions energy: -660.439
where: short stacking energy: -278.538
Base-Backbone interact. energy: 0.250
local terms energy: -294.154719
where:
bonds (distance) C4'-P energy: -54.610
bonds (distance) P-C4' energy: -56.600
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -82.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -823.326644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.326644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.326644 (E_RNA)
where:
Base-Base interactions energy: -560.536
where: short stacking energy: -226.920
Base-Backbone interact. energy: -0.280
local terms energy: -262.510625
where:
bonds (distance) C4'-P energy: -49.026
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -61.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -828.935786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.935786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.935786 (E_RNA)
where:
Base-Base interactions energy: -571.611
where: short stacking energy: -250.373
Base-Backbone interact. energy: 0.460
local terms energy: -257.785120
where:
bonds (distance) C4'-P energy: -38.936
bonds (distance) P-C4' energy: -46.709
flat angles C4'-P-C4' energy: -62.993
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -71.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -771.074227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.074227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.074227 (E_RNA)
where:
Base-Base interactions energy: -524.152
where: short stacking energy: -218.791
Base-Backbone interact. energy: -0.261
local terms energy: -246.660652
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -55.560
flat angles C4'-P-C4' energy: -61.235
flat angles P-C4'-P energy: -31.025
tors. eta vs tors. theta energy: -54.086
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: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -738.044382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.044382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.044382 (E_RNA)
where:
Base-Base interactions energy: -488.697
where: short stacking energy: -207.693
Base-Backbone interact. energy: -1.889
local terms energy: -247.457584
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -54.723
flat angles C4'-P-C4' energy: -54.989
flat angles P-C4'-P energy: -37.042
tors. eta vs tors. theta energy: -56.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -614.031999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.031999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.031999 (E_RNA)
where:
Base-Base interactions energy: -412.976
where: short stacking energy: -185.064
Base-Backbone interact. energy: -0.309
local terms energy: -200.746160
where:
bonds (distance) C4'-P energy: -45.035
bonds (distance) P-C4' energy: -44.108
flat angles C4'-P-C4' energy: -49.434
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -34.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -437.537737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.537737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.537737 (E_RNA)
where:
Base-Base interactions energy: -267.658
where: short stacking energy: -130.823
Base-Backbone interact. energy: -0.666
local terms energy: -169.213766
where:
bonds (distance) C4'-P energy: -48.690
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -275.658216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.658216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.658216 (E_RNA)
where:
Base-Base interactions energy: -122.399
where: short stacking energy: -85.534
Base-Backbone interact. energy: -0.723
local terms energy: -152.535996
where:
bonds (distance) C4'-P energy: -46.206
bonds (distance) P-C4' energy: -44.890
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: 2.525
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: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -989.436952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.436952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.436952 (E_RNA)
where:
Base-Base interactions energy: -693.830
where: short stacking energy: -283.957
Base-Backbone interact. energy: -1.078
local terms energy: -294.529284
where:
bonds (distance) C4'-P energy: -51.803
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -59.419
flat angles P-C4'-P energy: -45.542
tors. eta vs tors. theta energy: -80.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -941.063838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.063838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.063838 (E_RNA)
where:
Base-Base interactions energy: -661.028
where: short stacking energy: -270.594
Base-Backbone interact. energy: -1.225
local terms energy: -278.810873
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -47.766
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -81.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -930.959541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.959541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.959541 (E_RNA)
where:
Base-Base interactions energy: -655.989
where: short stacking energy: -271.316
Base-Backbone interact. energy: 0.111
local terms energy: -275.081275
where:
bonds (distance) C4'-P energy: -45.789
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -58.668
flat angles P-C4'-P energy: -43.514
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: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -879.019256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.019256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.019256 (E_RNA)
where:
Base-Base interactions energy: -594.793
where: short stacking energy: -266.378
Base-Backbone interact. energy: -1.416
local terms energy: -282.810549
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -53.706
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -81.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -834.952719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.952719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.952719 (E_RNA)
where:
Base-Base interactions energy: -579.038
where: short stacking energy: -255.621
Base-Backbone interact. energy: -0.286
local terms energy: -255.629100
where:
bonds (distance) C4'-P energy: -48.408
bonds (distance) P-C4' energy: -43.838
flat angles C4'-P-C4' energy: -52.263
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -78.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -808.918095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.918095 (E_RNA)
where:
Base-Base interactions energy: -551.394
where: short stacking energy: -228.838
Base-Backbone interact. energy: -1.091
local terms energy: -256.432520
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -52.563
flat angles C4'-P-C4' energy: -50.222
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -71.213
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: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -759.921520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.921520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.921520 (E_RNA)
where:
Base-Base interactions energy: -519.710
where: short stacking energy: -234.995
Base-Backbone interact. energy: -1.658
local terms energy: -238.553498
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -48.672
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -66.392
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: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -654.936120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.936120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.936120 (E_RNA)
where:
Base-Base interactions energy: -428.182
where: short stacking energy: -188.826
Base-Backbone interact. energy: -1.022
local terms energy: -225.731619
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -48.892
flat angles P-C4'-P energy: -35.673
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: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -462.380740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.380740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.380740 (E_RNA)
where:
Base-Base interactions energy: -266.198
where: short stacking energy: -128.934
Base-Backbone interact. energy: 0.412
local terms energy: -196.595022
where:
bonds (distance) C4'-P energy: -54.595
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -43.057
flat angles P-C4'-P energy: -29.666
tors. eta vs tors. theta energy: -16.390
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: 251
Temperature: 1.350000
Total energy: -287.597985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.597985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.597985 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -73.904
Base-Backbone interact. energy: 0.479
local terms energy: -161.007146
where:
bonds (distance) C4'-P energy: -48.210
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: 4.844
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: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -972.519359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.519359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.519359 (E_RNA)
where:
Base-Base interactions energy: -687.993
where: short stacking energy: -278.301
Base-Backbone interact. energy: 0.701
local terms energy: -285.227394
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -42.307
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -83.055
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: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -941.163058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.163058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.163058 (E_RNA)
where:
Base-Base interactions energy: -656.705
where: short stacking energy: -287.061
Base-Backbone interact. energy: -1.219
local terms energy: -283.238401
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -55.758
flat angles C4'-P-C4' energy: -54.394
flat angles P-C4'-P energy: -37.848
tors. eta vs tors. theta energy: -82.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -928.143946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.143946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.143946 (E_RNA)
where:
Base-Base interactions energy: -647.284
where: short stacking energy: -272.533
Base-Backbone interact. energy: -0.906
local terms energy: -279.953700
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -52.171
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -84.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -842.177913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.177913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.177913 (E_RNA)
where:
Base-Base interactions energy: -594.441
where: short stacking energy: -261.514
Base-Backbone interact. energy: 2.125
local terms energy: -249.861844
where:
bonds (distance) C4'-P energy: -39.928
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -54.949
flat angles P-C4'-P energy: -36.282
tors. eta vs tors. theta energy: -71.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -816.696022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.696022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.696022 (E_RNA)
where:
Base-Base interactions energy: -567.093
where: short stacking energy: -248.258
Base-Backbone interact. energy: 0.868
local terms energy: -250.470648
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -58.605
flat angles P-C4'-P energy: -31.234
tors. eta vs tors. theta energy: -72.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -805.547461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.547461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.547461 (E_RNA)
where:
Base-Base interactions energy: -537.594
where: short stacking energy: -232.670
Base-Backbone interact. energy: -0.848
local terms energy: -267.105437
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -63.231
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -67.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -774.198697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.198697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.198697 (E_RNA)
where:
Base-Base interactions energy: -522.378
where: short stacking energy: -218.518
Base-Backbone interact. energy: 1.117
local terms energy: -252.936892
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -48.273
flat angles C4'-P-C4' energy: -56.314
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -59.050
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: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -639.731649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.731649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.731649 (E_RNA)
where:
Base-Base interactions energy: -427.991
where: short stacking energy: -174.175
Base-Backbone interact. energy: -1.591
local terms energy: -210.149749
where:
bonds (distance) C4'-P energy: -39.097
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -49.409
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -424.933269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.933269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.933269 (E_RNA)
where:
Base-Base interactions energy: -253.449
where: short stacking energy: -127.289
Base-Backbone interact. energy: 0.045
local terms energy: -171.529267
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -45.928
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -283.380188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.380188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.380188 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -80.053
Base-Backbone interact. energy: 0.251
local terms energy: -138.584911
where:
bonds (distance) C4'-P energy: -37.694
bonds (distance) P-C4' energy: -53.996
flat angles C4'-P-C4' energy: -46.369
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: 9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -961.130433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.130433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.130433 (E_RNA)
where:
Base-Base interactions energy: -676.812
where: short stacking energy: -284.056
Base-Backbone interact. energy: 2.505
local terms energy: -286.822711
where:
bonds (distance) C4'-P energy: -52.249
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -59.508
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -77.225
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: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -953.872681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.872681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.872681 (E_RNA)
where:
Base-Base interactions energy: -667.220
where: short stacking energy: -278.260
Base-Backbone interact. energy: -1.945
local terms energy: -284.707897
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -86.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -931.770313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.770313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.770313 (E_RNA)
where:
Base-Base interactions energy: -651.748
where: short stacking energy: -284.640
Base-Backbone interact. energy: -0.410
local terms energy: -279.612797
where:
bonds (distance) C4'-P energy: -53.420
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -60.480
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -81.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -834.004163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.004163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.004163 (E_RNA)
where:
Base-Base interactions energy: -579.354
where: short stacking energy: -247.858
Base-Backbone interact. energy: -0.525
local terms energy: -254.125250
where:
bonds (distance) C4'-P energy: -50.698
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -51.272
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -58.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -824.420531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.420531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.420531 (E_RNA)
where:
Base-Base interactions energy: -571.570
where: short stacking energy: -252.416
Base-Backbone interact. energy: -0.123
local terms energy: -252.728143
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -55.155
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -73.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -792.236764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.236764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.236764 (E_RNA)
where:
Base-Base interactions energy: -568.118
where: short stacking energy: -227.462
Base-Backbone interact. energy: -0.739
local terms energy: -223.379761
where:
bonds (distance) C4'-P energy: -36.067
bonds (distance) P-C4' energy: -51.931
flat angles C4'-P-C4' energy: -49.829
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -57.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -784.873526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.873526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.873526 (E_RNA)
where:
Base-Base interactions energy: -551.749
where: short stacking energy: -220.611
Base-Backbone interact. energy: -0.992
local terms energy: -232.132205
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -57.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -610.179898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.179898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.179898 (E_RNA)
where:
Base-Base interactions energy: -401.564
where: short stacking energy: -175.940
Base-Backbone interact. energy: -0.993
local terms energy: -207.622652
where:
bonds (distance) C4'-P energy: -48.208
bonds (distance) P-C4' energy: -44.920
flat angles C4'-P-C4' energy: -44.677
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -417.715287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.715287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.715287 (E_RNA)
where:
Base-Base interactions energy: -234.473
where: short stacking energy: -119.327
Base-Backbone interact. energy: -0.183
local terms energy: -183.059487
where:
bonds (distance) C4'-P energy: -43.770
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -43.597
flat angles P-C4'-P energy: -25.018
tors. eta vs tors. theta energy: -22.424
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: 253
Temperature: 1.350000
Total energy: -283.258708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.258708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.258708 (E_RNA)
where:
Base-Base interactions energy: -134.361
where: short stacking energy: -98.306
Base-Backbone interact. energy: -0.622
local terms energy: -148.276241
where:
bonds (distance) C4'-P energy: -43.077
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -6.913
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -978.807669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.807669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.807669 (E_RNA)
where:
Base-Base interactions energy: -680.672
where: short stacking energy: -298.132
Base-Backbone interact. energy: -0.986
local terms energy: -297.149026
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -63.994
flat angles P-C4'-P energy: -43.406
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: 2, replica: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -929.478291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.478291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.478291 (E_RNA)
where:
Base-Base interactions energy: -640.770
where: short stacking energy: -270.665
Base-Backbone interact. energy: -0.345
local terms energy: -288.363525
where:
bonds (distance) C4'-P energy: -53.179
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -65.411
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -77.591
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: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -933.267740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.267740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.267740 (E_RNA)
where:
Base-Base interactions energy: -646.854
where: short stacking energy: -261.167
Base-Backbone interact. energy: -1.098
local terms energy: -285.315422
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -54.680
flat angles C4'-P-C4' energy: -57.494
flat angles P-C4'-P energy: -48.022
tors. eta vs tors. theta energy: -81.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -822.245582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.245582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.245582 (E_RNA)
where:
Base-Base interactions energy: -575.779
where: short stacking energy: -239.367
Base-Backbone interact. energy: -0.879
local terms energy: -245.588134
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -53.846
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -52.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -827.200945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.200945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.200945 (E_RNA)
where:
Base-Base interactions energy: -567.763
where: short stacking energy: -250.358
Base-Backbone interact. energy: -1.193
local terms energy: -258.245221
where:
bonds (distance) C4'-P energy: -46.104
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -52.464
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -67.116
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: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -787.851432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.851432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.851432 (E_RNA)
where:
Base-Base interactions energy: -537.644
where: short stacking energy: -211.829
Base-Backbone interact. energy: -1.285
local terms energy: -248.922100
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -56.501
flat angles P-C4'-P energy: -37.583
tors. eta vs tors. theta energy: -59.534
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: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -751.464021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.464021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.464021 (E_RNA)
where:
Base-Base interactions energy: -517.559
where: short stacking energy: -224.070
Base-Backbone interact. energy: -0.363
local terms energy: -233.541245
where:
bonds (distance) C4'-P energy: -53.467
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -46.350
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -57.094
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: 254
Temperature: 1.250000
Total energy: -609.893713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.893713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.893713 (E_RNA)
where:
Base-Base interactions energy: -402.361
where: short stacking energy: -169.674
Base-Backbone interact. energy: 0.190
local terms energy: -207.723014
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -38.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -434.661472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.661472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.661472 (E_RNA)
where:
Base-Base interactions energy: -250.311
where: short stacking energy: -113.557
Base-Backbone interact. energy: 0.213
local terms energy: -184.563243
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -35.352
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -19.880
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: 254
Temperature: 1.350000
Total energy: -278.557896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.557896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.557896 (E_RNA)
where:
Base-Base interactions energy: -128.322
where: short stacking energy: -81.732
Base-Backbone interact. energy: -1.549
local terms energy: -148.687071
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -1.189
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: 255
Temperature: 0.900000
Total energy: -955.569154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.569154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.569154 (E_RNA)
where:
Base-Base interactions energy: -663.711
where: short stacking energy: -273.918
Base-Backbone interact. energy: -0.770
local terms energy: -291.088166
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -52.262
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: -86.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -943.112607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.112607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.112607 (E_RNA)
where:
Base-Base interactions energy: -664.671
where: short stacking energy: -290.554
Base-Backbone interact. energy: -1.307
local terms energy: -277.134617
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -49.764
flat angles C4'-P-C4' energy: -59.926
flat angles P-C4'-P energy: -31.090
tors. eta vs tors. theta energy: -87.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -885.660800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.660800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.660800 (E_RNA)
where:
Base-Base interactions energy: -613.789
where: short stacking energy: -260.908
Base-Backbone interact. energy: -0.936
local terms energy: -270.936059
where:
bonds (distance) C4'-P energy: -53.465
bonds (distance) P-C4' energy: -44.406
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -71.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -821.754442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.754442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.754442 (E_RNA)
where:
Base-Base interactions energy: -568.695
where: short stacking energy: -239.885
Base-Backbone interact. energy: -0.697
local terms energy: -252.362267
where:
bonds (distance) C4'-P energy: -47.088
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -56.187
flat angles P-C4'-P energy: -37.774
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: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -816.823029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.823029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.823029 (E_RNA)
where:
Base-Base interactions energy: -570.060
where: short stacking energy: -232.310
Base-Backbone interact. energy: 0.130
local terms energy: -246.893499
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -48.847
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -66.741
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: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -799.692654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.692654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.692654 (E_RNA)
where:
Base-Base interactions energy: -552.523
where: short stacking energy: -242.525
Base-Backbone interact. energy: 0.028
local terms energy: -247.197721
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -45.770
flat angles C4'-P-C4' energy: -57.181
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -65.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -723.959221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.959221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.959221 (E_RNA)
where:
Base-Base interactions energy: -506.244
where: short stacking energy: -228.213
Base-Backbone interact. energy: -1.293
local terms energy: -216.422557
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -46.895
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -60.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -589.164718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.164718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.164718 (E_RNA)
where:
Base-Base interactions energy: -390.911
where: short stacking energy: -164.860
Base-Backbone interact. energy: -0.208
local terms energy: -198.046440
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -31.354
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: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -403.250680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.250680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.250680 (E_RNA)
where:
Base-Base interactions energy: -240.029
where: short stacking energy: -136.326
Base-Backbone interact. energy: -2.205
local terms energy: -161.016567
where:
bonds (distance) C4'-P energy: -36.220
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -44.294
flat angles P-C4'-P energy: -30.822
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -297.087882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.087882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.087882 (E_RNA)
where:
Base-Base interactions energy: -136.620
where: short stacking energy: -95.629
Base-Backbone interact. energy: 1.564
local terms energy: -162.032069
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -49.523
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -950.466829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.466829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.466829 (E_RNA)
where:
Base-Base interactions energy: -660.509
where: short stacking energy: -282.770
Base-Backbone interact. energy: -0.535
local terms energy: -289.422475
where:
bonds (distance) C4'-P energy: -49.930
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -61.720
flat angles P-C4'-P energy: -40.569
tors. eta vs tors. theta energy: -87.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -935.286933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.286933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.286933 (E_RNA)
where:
Base-Base interactions energy: -655.321
where: short stacking energy: -274.828
Base-Backbone interact. energy: -1.932
local terms energy: -278.034104
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -46.567
flat angles C4'-P-C4' energy: -59.651
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -80.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -885.843994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.843994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.843994 (E_RNA)
where:
Base-Base interactions energy: -628.237
where: short stacking energy: -258.444
Base-Backbone interact. energy: 0.420
local terms energy: -258.026759
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -38.643
flat angles C4'-P-C4' energy: -63.356
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -72.378
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -822.844665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.844665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.844665 (E_RNA)
where:
Base-Base interactions energy: -560.528
where: short stacking energy: -245.604
Base-Backbone interact. energy: -0.287
local terms energy: -262.030070
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -65.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -806.315087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.315087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.315087 (E_RNA)
where:
Base-Base interactions energy: -554.639
where: short stacking energy: -242.983
Base-Backbone interact. energy: -0.331
local terms energy: -251.344986
where:
bonds (distance) C4'-P energy: -54.120
bonds (distance) P-C4' energy: -41.301
flat angles C4'-P-C4' energy: -57.871
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: -62.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -771.222172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.222172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.222172 (E_RNA)
where:
Base-Base interactions energy: -524.293
where: short stacking energy: -221.810
Base-Backbone interact. energy: -2.327
local terms energy: -244.601327
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -56.741
flat angles C4'-P-C4' energy: -47.033
flat angles P-C4'-P energy: -28.522
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -749.052260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.052260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.052260 (E_RNA)
where:
Base-Base interactions energy: -502.159
where: short stacking energy: -230.583
Base-Backbone interact. energy: -1.320
local terms energy: -245.573700
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -43.633
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -61.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -587.502707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.502707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.502707 (E_RNA)
where:
Base-Base interactions energy: -379.220
where: short stacking energy: -169.792
Base-Backbone interact. energy: 0.537
local terms energy: -208.819810
where:
bonds (distance) C4'-P energy: -39.881
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -47.151
flat angles P-C4'-P energy: -37.826
tors. eta vs tors. theta energy: -37.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -408.162962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.162962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.162962 (E_RNA)
where:
Base-Base interactions energy: -250.106
where: short stacking energy: -123.907
Base-Backbone interact. energy: 1.748
local terms energy: -159.805041
where:
bonds (distance) C4'-P energy: -46.995
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -11.312
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: 256
Temperature: 1.350000
Total energy: -299.670430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.670430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.670430 (E_RNA)
where:
Base-Base interactions energy: -146.587
where: short stacking energy: -93.650
Base-Backbone interact. energy: -0.799
local terms energy: -152.284663
where:
bonds (distance) C4'-P energy: -37.221
bonds (distance) P-C4' energy: -45.461
flat angles C4'-P-C4' energy: -50.849
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -965.026109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.026109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.026109 (E_RNA)
where:
Base-Base interactions energy: -660.896
where: short stacking energy: -280.579
Base-Backbone interact. energy: -0.741
local terms energy: -303.389753
where:
bonds (distance) C4'-P energy: -56.010
bonds (distance) P-C4' energy: -57.288
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -45.459
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: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -943.054108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.054108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.054108 (E_RNA)
where:
Base-Base interactions energy: -642.549
where: short stacking energy: -269.316
Base-Backbone interact. energy: -1.348
local terms energy: -299.157991
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -60.273
flat angles C4'-P-C4' energy: -65.294
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -83.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -922.658873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.658873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.658873 (E_RNA)
where:
Base-Base interactions energy: -653.047
where: short stacking energy: -264.997
Base-Backbone interact. energy: -0.133
local terms energy: -269.479682
where:
bonds (distance) C4'-P energy: -53.162
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -76.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -830.272658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.272658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.272658 (E_RNA)
where:
Base-Base interactions energy: -575.439
where: short stacking energy: -241.424
Base-Backbone interact. energy: -1.250
local terms energy: -253.583312
where:
bonds (distance) C4'-P energy: -41.802
bonds (distance) P-C4' energy: -45.724
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -65.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -780.223261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.223261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.223261 (E_RNA)
where:
Base-Base interactions energy: -545.901
where: short stacking energy: -226.766
Base-Backbone interact. energy: 0.320
local terms energy: -234.641596
where:
bonds (distance) C4'-P energy: -40.197
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -58.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -776.968826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.968826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.968826 (E_RNA)
where:
Base-Base interactions energy: -529.109
where: short stacking energy: -215.352
Base-Backbone interact. energy: -0.138
local terms energy: -247.721585
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -52.833
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -60.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -754.821015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.821015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.821015 (E_RNA)
where:
Base-Base interactions energy: -514.823
where: short stacking energy: -223.789
Base-Backbone interact. energy: -0.086
local terms energy: -239.911876
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -55.717
flat angles C4'-P-C4' energy: -57.787
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -59.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -587.931095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.931095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.931095 (E_RNA)
where:
Base-Base interactions energy: -390.191
where: short stacking energy: -164.053
Base-Backbone interact. energy: -0.913
local terms energy: -196.826797
where:
bonds (distance) C4'-P energy: -44.435
bonds (distance) P-C4' energy: -45.367
flat angles C4'-P-C4' energy: -43.413
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -38.766
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: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -395.099744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.099744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.099744 (E_RNA)
where:
Base-Base interactions energy: -222.294
where: short stacking energy: -118.021
Base-Backbone interact. energy: -0.215
local terms energy: -172.590695
where:
bonds (distance) C4'-P energy: -47.845
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -280.706993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.706993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.706993 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -85.034
Base-Backbone interact. energy: -0.850
local terms energy: -144.508226
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -48.607
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -26.407
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -967.058461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.058461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.058461 (E_RNA)
where:
Base-Base interactions energy: -658.047
where: short stacking energy: -285.192
Base-Backbone interact. energy: -0.512
local terms energy: -308.499687
where:
bonds (distance) C4'-P energy: -59.401
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -64.893
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -92.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -946.236212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.236212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.236212 (E_RNA)
where:
Base-Base interactions energy: -665.480
where: short stacking energy: -280.078
Base-Backbone interact. energy: 0.205
local terms energy: -280.960799
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -48.769
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -84.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -905.759049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.759049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.759049 (E_RNA)
where:
Base-Base interactions energy: -640.611
where: short stacking energy: -267.168
Base-Backbone interact. energy: 5.531
local terms energy: -270.679642
where:
bonds (distance) C4'-P energy: -50.060
bonds (distance) P-C4' energy: -46.172
flat angles C4'-P-C4' energy: -57.380
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -79.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -841.922879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.922879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.922879 (E_RNA)
where:
Base-Base interactions energy: -568.877
where: short stacking energy: -218.774
Base-Backbone interact. energy: -0.727
local terms energy: -272.319725
where:
bonds (distance) C4'-P energy: -55.551
bonds (distance) P-C4' energy: -53.605
flat angles C4'-P-C4' energy: -59.993
flat angles P-C4'-P energy: -40.231
tors. eta vs tors. theta energy: -62.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -805.625272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.625272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.625272 (E_RNA)
where:
Base-Base interactions energy: -547.564
where: short stacking energy: -243.887
Base-Backbone interact. energy: 2.956
local terms energy: -261.016696
where:
bonds (distance) C4'-P energy: -50.697
bonds (distance) P-C4' energy: -46.065
flat angles C4'-P-C4' energy: -55.381
flat angles P-C4'-P energy: -39.232
tors. eta vs tors. theta energy: -69.641
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: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -794.253927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.253927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.253927 (E_RNA)
where:
Base-Base interactions energy: -540.553
where: short stacking energy: -240.003
Base-Backbone interact. energy: 0.052
local terms energy: -253.753545
where:
bonds (distance) C4'-P energy: -35.568
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -61.608
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -68.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -751.645391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.645391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.645391 (E_RNA)
where:
Base-Base interactions energy: -500.645
where: short stacking energy: -213.894
Base-Backbone interact. energy: -0.093
local terms energy: -250.907299
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -58.469
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -65.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -638.517994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.517994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.517994 (E_RNA)
where:
Base-Base interactions energy: -436.001
where: short stacking energy: -174.995
Base-Backbone interact. energy: 0.528
local terms energy: -203.044898
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -43.870
flat angles C4'-P-C4' energy: -44.761
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -37.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -391.159812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.159812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.159812 (E_RNA)
where:
Base-Base interactions energy: -207.676
where: short stacking energy: -113.546
Base-Backbone interact. energy: -1.721
local terms energy: -181.762759
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -47.299
flat angles C4'-P-C4' energy: -49.377
flat angles P-C4'-P energy: -29.165
tors. eta vs tors. theta energy: -26.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -220.344750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.344750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.344750 (E_RNA)
where:
Base-Base interactions energy: -80.094
where: short stacking energy: -70.275
Base-Backbone interact. energy: 2.969
local terms energy: -143.219697
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -43.847
flat angles P-C4'-P energy: -32.369
tors. eta vs tors. theta energy: 10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -962.674870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.674870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.674870 (E_RNA)
where:
Base-Base interactions energy: -656.298
where: short stacking energy: -286.078
Base-Backbone interact. energy: -0.322
local terms energy: -306.054648
where:
bonds (distance) C4'-P energy: -56.870
bonds (distance) P-C4' energy: -61.891
flat angles C4'-P-C4' energy: -57.456
flat angles P-C4'-P energy: -39.628
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: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -918.412752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.412752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.412752 (E_RNA)
where:
Base-Base interactions energy: -645.250
where: short stacking energy: -280.100
Base-Backbone interact. energy: -0.520
local terms energy: -272.642727
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -52.679
flat angles C4'-P-C4' energy: -48.330
flat angles P-C4'-P energy: -45.705
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: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -932.987408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.987408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.987408 (E_RNA)
where:
Base-Base interactions energy: -653.414
where: short stacking energy: -267.307
Base-Backbone interact. energy: -0.788
local terms energy: -278.784895
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -48.993
flat angles C4'-P-C4' energy: -64.288
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -79.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -807.802283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.802283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.802283 (E_RNA)
where:
Base-Base interactions energy: -546.571
where: short stacking energy: -237.930
Base-Backbone interact. energy: -1.097
local terms energy: -260.135067
where:
bonds (distance) C4'-P energy: -51.441
bonds (distance) P-C4' energy: -53.954
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -38.192
tors. eta vs tors. theta energy: -62.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -810.657784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.657784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.657784 (E_RNA)
where:
Base-Base interactions energy: -557.300
where: short stacking energy: -230.507
Base-Backbone interact. energy: 1.385
local terms energy: -254.742187
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -43.934
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -68.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -821.782827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.782827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.782827 (E_RNA)
where:
Base-Base interactions energy: -553.047
where: short stacking energy: -236.795
Base-Backbone interact. energy: -0.242
local terms energy: -268.494069
where:
bonds (distance) C4'-P energy: -48.943
bonds (distance) P-C4' energy: -48.097
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -34.564
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: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -770.434553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.434553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.434553 (E_RNA)
where:
Base-Base interactions energy: -547.075
where: short stacking energy: -230.708
Base-Backbone interact. energy: -0.442
local terms energy: -222.916860
where:
bonds (distance) C4'-P energy: -45.239
bonds (distance) P-C4' energy: -37.209
flat angles C4'-P-C4' energy: -48.827
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -60.511
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: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -667.814862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.814862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.814862 (E_RNA)
where:
Base-Base interactions energy: -447.827
where: short stacking energy: -208.889
Base-Backbone interact. energy: -0.079
local terms energy: -219.909180
where:
bonds (distance) C4'-P energy: -45.325
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -31.285
tors. eta vs tors. theta energy: -48.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -384.066945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.066945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.066945 (E_RNA)
where:
Base-Base interactions energy: -205.187
where: short stacking energy: -109.154
Base-Backbone interact. energy: -1.070
local terms energy: -177.810365
where:
bonds (distance) C4'-P energy: -51.798
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -33.504
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -217.599356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.599356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.599356 (E_RNA)
where:
Base-Base interactions energy: -62.583
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.444
local terms energy: -154.572203
where:
bonds (distance) C4'-P energy: -43.472
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -945.347944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.347944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.347944 (E_RNA)
where:
Base-Base interactions energy: -655.326
where: short stacking energy: -271.026
Base-Backbone interact. energy: 0.298
local terms energy: -290.320307
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -57.994
flat angles C4'-P-C4' energy: -62.939
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -81.495
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: 260
Temperature: 0.950000
Total energy: -941.298629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.298629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.298629 (E_RNA)
where:
Base-Base interactions energy: -635.061
where: short stacking energy: -277.769
Base-Backbone interact. energy: -1.296
local terms energy: -304.942078
where:
bonds (distance) C4'-P energy: -52.318
bonds (distance) P-C4' energy: -52.939
flat angles C4'-P-C4' energy: -65.691
flat angles P-C4'-P energy: -42.453
tors. eta vs tors. theta energy: -91.540
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -924.035108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.035108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.035108 (E_RNA)
where:
Base-Base interactions energy: -640.154
where: short stacking energy: -277.159
Base-Backbone interact. energy: 0.764
local terms energy: -284.644910
where:
bonds (distance) C4'-P energy: -54.248
bonds (distance) P-C4' energy: -57.505
flat angles C4'-P-C4' energy: -57.325
flat angles P-C4'-P energy: -38.397
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: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -815.829044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.829044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.829044 (E_RNA)
where:
Base-Base interactions energy: -552.899
where: short stacking energy: -233.583
Base-Backbone interact. energy: 1.419
local terms energy: -264.349809
where:
bonds (distance) C4'-P energy: -44.602
bonds (distance) P-C4' energy: -52.908
flat angles C4'-P-C4' energy: -62.074
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -72.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -824.487342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.487342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.487342 (E_RNA)
where:
Base-Base interactions energy: -547.344
where: short stacking energy: -217.549
Base-Backbone interact. energy: 0.409
local terms energy: -277.552349
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -71.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -815.892119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.892119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.892119 (E_RNA)
where:
Base-Base interactions energy: -562.134
where: short stacking energy: -234.478
Base-Backbone interact. energy: -0.317
local terms energy: -253.440786
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -55.361
flat angles P-C4'-P energy: -31.503
tors. eta vs tors. theta energy: -69.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -763.492351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.492351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.492351 (E_RNA)
where:
Base-Base interactions energy: -528.074
where: short stacking energy: -211.700
Base-Backbone interact. energy: 2.290
local terms energy: -237.708430
where:
bonds (distance) C4'-P energy: -47.338
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: -69.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -628.320272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.320272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.320272 (E_RNA)
where:
Base-Base interactions energy: -434.058
where: short stacking energy: -175.374
Base-Backbone interact. energy: -1.821
local terms energy: -192.441094
where:
bonds (distance) C4'-P energy: -41.163
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -28.682
tors. eta vs tors. theta energy: -36.942
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -356.920080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.920080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.920080 (E_RNA)
where:
Base-Base interactions energy: -197.696
where: short stacking energy: -105.686
Base-Backbone interact. energy: 0.164
local terms energy: -159.388584
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -41.704
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -238.789304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.789304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.789304 (E_RNA)
where:
Base-Base interactions energy: -91.857
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.939
local terms energy: -145.993577
where:
bonds (distance) C4'-P energy: -44.285
bonds (distance) P-C4' energy: -49.149
flat angles C4'-P-C4' energy: -39.261
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: 5.976
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: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -947.579939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.579939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.579939 (E_RNA)
where:
Base-Base interactions energy: -671.763
where: short stacking energy: -289.005
Base-Backbone interact. energy: 0.007
local terms energy: -275.823262
where:
bonds (distance) C4'-P energy: -50.230
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -77.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -922.861105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.861105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.861105 (E_RNA)
where:
Base-Base interactions energy: -649.364
where: short stacking energy: -272.850
Base-Backbone interact. energy: -1.742
local terms energy: -271.755358
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -50.221
flat angles P-C4'-P energy: -32.818
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: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -912.071255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.071255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.071255 (E_RNA)
where:
Base-Base interactions energy: -628.433
where: short stacking energy: -257.611
Base-Backbone interact. energy: -1.136
local terms energy: -282.502565
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -58.444
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -88.419
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: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -815.983153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.983153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.983153 (E_RNA)
where:
Base-Base interactions energy: -549.557
where: short stacking energy: -241.319
Base-Backbone interact. energy: -0.448
local terms energy: -265.978547
where:
bonds (distance) C4'-P energy: -52.929
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -50.361
flat angles P-C4'-P energy: -35.526
tors. eta vs tors. theta energy: -72.039
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: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -793.870950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.870950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.870950 (E_RNA)
where:
Base-Base interactions energy: -536.933
where: short stacking energy: -235.433
Base-Backbone interact. energy: 0.188
local terms energy: -257.126113
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -45.300
tors. eta vs tors. theta energy: -62.018
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: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -771.439541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.439541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.439541 (E_RNA)
where:
Base-Base interactions energy: -533.580
where: short stacking energy: -228.752
Base-Backbone interact. energy: 2.954
local terms energy: -240.814131
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -40.696
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -38.411
tors. eta vs tors. theta energy: -65.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -774.219888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.219888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.219888 (E_RNA)
where:
Base-Base interactions energy: -521.870
where: short stacking energy: -215.374
Base-Backbone interact. energy: 0.287
local terms energy: -252.636892
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -50.440
flat angles C4'-P-C4' energy: -56.869
flat angles P-C4'-P energy: -33.688
tors. eta vs tors. theta energy: -71.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -616.140799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.140799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.140799 (E_RNA)
where:
Base-Base interactions energy: -392.947
where: short stacking energy: -174.345
Base-Backbone interact. energy: 0.116
local terms energy: -223.309421
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -51.782
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -48.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -365.545744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.545744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.545744 (E_RNA)
where:
Base-Base interactions energy: -215.325
where: short stacking energy: -114.410
Base-Backbone interact. energy: 1.041
local terms energy: -151.261883
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -46.363
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -9.593
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: 261
Temperature: 1.350000
Total energy: -241.331860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.331860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.331860 (E_RNA)
where:
Base-Base interactions energy: -96.127
where: short stacking energy: -59.487
Base-Backbone interact. energy: 0.288
local terms energy: -145.493504
where:
bonds (distance) C4'-P energy: -39.042
bonds (distance) P-C4' energy: -34.757
flat angles C4'-P-C4' energy: -50.361
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: 4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -957.613301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.613301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.613301 (E_RNA)
where:
Base-Base interactions energy: -666.226
where: short stacking energy: -286.942
Base-Backbone interact. energy: -0.292
local terms energy: -291.094841
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -64.037
flat angles P-C4'-P energy: -43.209
tors. eta vs tors. theta energy: -79.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -933.234258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.234258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.234258 (E_RNA)
where:
Base-Base interactions energy: -648.603
where: short stacking energy: -264.518
Base-Backbone interact. energy: -0.891
local terms energy: -283.740289
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -57.956
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -73.813
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: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -909.431991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.431991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.431991 (E_RNA)
where:
Base-Base interactions energy: -629.218
where: short stacking energy: -259.278
Base-Backbone interact. energy: 1.417
local terms energy: -281.630586
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -47.856
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -44.115
tors. eta vs tors. theta energy: -84.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -823.933859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.933859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.933859 (E_RNA)
where:
Base-Base interactions energy: -563.860
where: short stacking energy: -238.574
Base-Backbone interact. energy: -0.959
local terms energy: -259.115522
where:
bonds (distance) C4'-P energy: -43.303
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -54.220
flat angles P-C4'-P energy: -41.346
tors. eta vs tors. theta energy: -73.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -818.533306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.533306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.533306 (E_RNA)
where:
Base-Base interactions energy: -561.752
where: short stacking energy: -240.510
Base-Backbone interact. energy: -0.497
local terms energy: -256.283895
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -55.564
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -72.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -805.114282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.114282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.114282 (E_RNA)
where:
Base-Base interactions energy: -534.458
where: short stacking energy: -228.392
Base-Backbone interact. energy: -1.059
local terms energy: -269.596950
where:
bonds (distance) C4'-P energy: -52.589
bonds (distance) P-C4' energy: -57.881
flat angles C4'-P-C4' energy: -58.713
flat angles P-C4'-P energy: -44.317
tors. eta vs tors. theta energy: -56.098
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: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -779.346018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.346018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.346018 (E_RNA)
where:
Base-Base interactions energy: -552.576
where: short stacking energy: -224.154
Base-Backbone interact. energy: 2.573
local terms energy: -229.342774
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -42.174
flat angles C4'-P-C4' energy: -49.931
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: -68.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -619.408696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.408696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.408696 (E_RNA)
where:
Base-Base interactions energy: -419.563
where: short stacking energy: -165.831
Base-Backbone interact. energy: 0.685
local terms energy: -200.530724
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -41.336
flat angles C4'-P-C4' energy: -49.705
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -37.971
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: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -394.787342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.787342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.787342 (E_RNA)
where:
Base-Base interactions energy: -214.270
where: short stacking energy: -109.960
Base-Backbone interact. energy: -1.346
local terms energy: -179.171863
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -54.290
flat angles C4'-P-C4' energy: -41.889
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -229.771608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.771608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.771608 (E_RNA)
where:
Base-Base interactions energy: -91.073
where: short stacking energy: -79.369
Base-Backbone interact. energy: -0.917
local terms energy: -137.781715
where:
bonds (distance) C4'-P energy: -45.247
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -951.828873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.828873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.828873 (E_RNA)
where:
Base-Base interactions energy: -666.065
where: short stacking energy: -276.991
Base-Backbone interact. energy: -0.141
local terms energy: -285.622605
where:
bonds (distance) C4'-P energy: -58.545
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -43.350
tors. eta vs tors. theta energy: -79.610
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: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -957.694340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.694340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.694340 (E_RNA)
where:
Base-Base interactions energy: -677.180
where: short stacking energy: -279.464
Base-Backbone interact. energy: -0.224
local terms energy: -280.290103
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -56.401
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -75.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -937.130496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.130496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.130496 (E_RNA)
where:
Base-Base interactions energy: -649.969
where: short stacking energy: -267.513
Base-Backbone interact. energy: -2.060
local terms energy: -285.101059
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -50.957
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -84.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -827.504015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.504015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.504015 (E_RNA)
where:
Base-Base interactions energy: -562.980
where: short stacking energy: -254.783
Base-Backbone interact. energy: 0.722
local terms energy: -265.245942
where:
bonds (distance) C4'-P energy: -42.389
bonds (distance) P-C4' energy: -55.229
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -70.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -808.059594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.059594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.059594 (E_RNA)
where:
Base-Base interactions energy: -551.695
where: short stacking energy: -230.557
Base-Backbone interact. energy: -1.815
local terms energy: -254.549658
where:
bonds (distance) C4'-P energy: -50.377
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -60.375
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: -64.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -784.349684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.349684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.349684 (E_RNA)
where:
Base-Base interactions energy: -553.550
where: short stacking energy: -227.787
Base-Backbone interact. energy: 1.719
local terms energy: -232.519044
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -63.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -764.876877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.876877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.876877 (E_RNA)
where:
Base-Base interactions energy: -527.189
where: short stacking energy: -224.831
Base-Backbone interact. energy: 0.836
local terms energy: -238.523690
where:
bonds (distance) C4'-P energy: -43.820
bonds (distance) P-C4' energy: -47.918
flat angles C4'-P-C4' energy: -54.262
flat angles P-C4'-P energy: -32.271
tors. eta vs tors. theta energy: -60.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -621.301073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.301073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.301073 (E_RNA)
where:
Base-Base interactions energy: -398.178
where: short stacking energy: -159.788
Base-Backbone interact. energy: -0.423
local terms energy: -222.700272
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -46.917
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -37.549
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: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -397.599285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.599285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.599285 (E_RNA)
where:
Base-Base interactions energy: -238.272
where: short stacking energy: -111.437
Base-Backbone interact. energy: 2.329
local terms energy: -161.656236
where:
bonds (distance) C4'-P energy: -56.424
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -35.925
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -17.833
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: 263
Temperature: 1.350000
Total energy: -237.928142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.928142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.928142 (E_RNA)
where:
Base-Base interactions energy: -73.699
where: short stacking energy: -58.908
Base-Backbone interact. energy: -1.411
local terms energy: -162.817889
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: 5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -950.621517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.621517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.621517 (E_RNA)
where:
Base-Base interactions energy: -650.290
where: short stacking energy: -270.564
Base-Backbone interact. energy: -0.216
local terms energy: -300.115278
where:
bonds (distance) C4'-P energy: -57.986
bonds (distance) P-C4' energy: -58.778
flat angles C4'-P-C4' energy: -56.688
flat angles P-C4'-P energy: -41.981
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: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -956.216720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.216720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.216720 (E_RNA)
where:
Base-Base interactions energy: -661.161
where: short stacking energy: -283.116
Base-Backbone interact. energy: -0.270
local terms energy: -294.785278
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -53.302
flat angles C4'-P-C4' energy: -60.362
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -78.064
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: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -929.324814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.324814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.324814 (E_RNA)
where:
Base-Base interactions energy: -637.083
where: short stacking energy: -264.289
Base-Backbone interact. energy: -1.766
local terms energy: -290.475771
where:
bonds (distance) C4'-P energy: -50.042
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -39.383
tors. eta vs tors. theta energy: -84.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -828.523630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.523630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.523630 (E_RNA)
where:
Base-Base interactions energy: -568.846
where: short stacking energy: -255.073
Base-Backbone interact. energy: 1.333
local terms energy: -261.010759
where:
bonds (distance) C4'-P energy: -51.756
bonds (distance) P-C4' energy: -40.563
flat angles C4'-P-C4' energy: -52.131
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: -76.909
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: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -836.027622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.027622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.027622 (E_RNA)
where:
Base-Base interactions energy: -569.169
where: short stacking energy: -250.165
Base-Backbone interact. energy: -0.457
local terms energy: -266.401351
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -76.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -776.334186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.334186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.334186 (E_RNA)
where:
Base-Base interactions energy: -514.762
where: short stacking energy: -230.779
Base-Backbone interact. energy: -1.817
local terms energy: -259.755569
where:
bonds (distance) C4'-P energy: -54.013
bonds (distance) P-C4' energy: -48.271
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -59.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -655.260494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.260494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.260494 (E_RNA)
where:
Base-Base interactions energy: -447.643
where: short stacking energy: -189.519
Base-Backbone interact. energy: 2.749
local terms energy: -210.366406
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -44.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -713.205091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.205091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.205091 (E_RNA)
where:
Base-Base interactions energy: -499.330
where: short stacking energy: -199.514
Base-Backbone interact. energy: 1.598
local terms energy: -215.473227
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -63.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -417.136783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.136783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.136783 (E_RNA)
where:
Base-Base interactions energy: -239.254
where: short stacking energy: -119.574
Base-Backbone interact. energy: 1.890
local terms energy: -179.772675
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -46.798
flat angles C4'-P-C4' energy: -44.917
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -246.791082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.791082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.791082 (E_RNA)
where:
Base-Base interactions energy: -101.053
where: short stacking energy: -78.427
Base-Backbone interact. energy: 1.835
local terms energy: -147.573562
where:
bonds (distance) C4'-P energy: -44.437
bonds (distance) P-C4' energy: -42.928
flat angles C4'-P-C4' energy: -35.015
flat angles P-C4'-P energy: -30.128
tors. eta vs tors. theta energy: 4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -971.137507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.137507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.137507 (E_RNA)
where:
Base-Base interactions energy: -669.158
where: short stacking energy: -274.142
Base-Backbone interact. energy: -0.101
local terms energy: -301.878983
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -58.982
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -89.213
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -958.232793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.232793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.232793 (E_RNA)
where:
Base-Base interactions energy: -683.916
where: short stacking energy: -278.679
Base-Backbone interact. energy: 0.759
local terms energy: -275.076033
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -46.679
flat angles C4'-P-C4' energy: -57.571
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: -82.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -935.373215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.373215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.373215 (E_RNA)
where:
Base-Base interactions energy: -647.904
where: short stacking energy: -274.669
Base-Backbone interact. energy: -1.693
local terms energy: -285.776330
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -48.543
flat angles C4'-P-C4' energy: -63.427
flat angles P-C4'-P energy: -40.389
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: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -835.727509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.727509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.727509 (E_RNA)
where:
Base-Base interactions energy: -551.169
where: short stacking energy: -229.667
Base-Backbone interact. energy: -0.786
local terms energy: -283.771862
where:
bonds (distance) C4'-P energy: -47.474
bonds (distance) P-C4' energy: -58.585
flat angles C4'-P-C4' energy: -62.172
flat angles P-C4'-P energy: -42.339
tors. eta vs tors. theta energy: -73.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -790.945270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.945270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.945270 (E_RNA)
where:
Base-Base interactions energy: -542.015
where: short stacking energy: -230.599
Base-Backbone interact. energy: 3.749
local terms energy: -252.678857
where:
bonds (distance) C4'-P energy: -47.345
bonds (distance) P-C4' energy: -48.752
flat angles C4'-P-C4' energy: -51.399
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -774.485867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.485867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.485867 (E_RNA)
where:
Base-Base interactions energy: -530.282
where: short stacking energy: -223.108
Base-Backbone interact. energy: -0.915
local terms energy: -243.288232
where:
bonds (distance) C4'-P energy: -47.719
bonds (distance) P-C4' energy: -42.705
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -67.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -642.537896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.537896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.537896 (E_RNA)
where:
Base-Base interactions energy: -430.932
where: short stacking energy: -188.847
Base-Backbone interact. energy: 3.230
local terms energy: -214.836821
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -42.806
flat angles C4'-P-C4' energy: -45.664
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -41.368
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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -705.911867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.911867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.911867 (E_RNA)
where:
Base-Base interactions energy: -477.820
where: short stacking energy: -209.301
Base-Backbone interact. energy: -0.463
local terms energy: -227.628341
where:
bonds (distance) C4'-P energy: -50.746
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -48.894
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -50.115
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: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -402.772202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.772202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.772202 (E_RNA)
where:
Base-Base interactions energy: -225.824
where: short stacking energy: -116.492
Base-Backbone interact. energy: -1.018
local terms energy: -175.930181
where:
bonds (distance) C4'-P energy: -52.790
bonds (distance) P-C4' energy: -43.618
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -216.453701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.453701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.453701 (E_RNA)
where:
Base-Base interactions energy: -78.706
where: short stacking energy: -65.902
Base-Backbone interact. energy: 1.117
local terms energy: -138.864253
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: 6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -970.965431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.965431 (E_RNA)
where:
Base-Base interactions energy: -688.023
where: short stacking energy: -275.506
Base-Backbone interact. energy: 2.824
local terms energy: -285.766619
where:
bonds (distance) C4'-P energy: -50.115
bonds (distance) P-C4' energy: -60.806
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: -82.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -943.359472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.359472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.359472 (E_RNA)
where:
Base-Base interactions energy: -642.449
where: short stacking energy: -272.481
Base-Backbone interact. energy: -2.018
local terms energy: -298.892351
where:
bonds (distance) C4'-P energy: -56.688
bonds (distance) P-C4' energy: -54.577
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -40.231
tors. eta vs tors. theta energy: -86.168
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: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -929.399581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.399581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.399581 (E_RNA)
where:
Base-Base interactions energy: -648.882
where: short stacking energy: -269.947
Base-Backbone interact. energy: -0.547
local terms energy: -279.971261
where:
bonds (distance) C4'-P energy: -51.677
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -81.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -824.290006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.290006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.290006 (E_RNA)
where:
Base-Base interactions energy: -563.261
where: short stacking energy: -232.524
Base-Backbone interact. energy: -0.756
local terms energy: -260.273728
where:
bonds (distance) C4'-P energy: -50.465
bonds (distance) P-C4' energy: -54.721
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -66.332
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: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -789.402266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.402266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.402266 (E_RNA)
where:
Base-Base interactions energy: -519.030
where: short stacking energy: -235.134
Base-Backbone interact. energy: 1.677
local terms energy: -272.049299
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -50.392
flat angles C4'-P-C4' energy: -60.339
flat angles P-C4'-P energy: -39.277
tors. eta vs tors. theta energy: -68.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -737.254286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.254286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.254286 (E_RNA)
where:
Base-Base interactions energy: -509.588
where: short stacking energy: -223.604
Base-Backbone interact. energy: -0.314
local terms energy: -227.351939
where:
bonds (distance) C4'-P energy: -49.195
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -46.423
flat angles P-C4'-P energy: -26.353
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: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -720.265824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.265824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.265824 (E_RNA)
where:
Base-Base interactions energy: -490.753
where: short stacking energy: -203.260
Base-Backbone interact. energy: -1.486
local terms energy: -228.026717
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -44.069
flat angles C4'-P-C4' energy: -49.849
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -51.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -668.700815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.700815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.700815 (E_RNA)
where:
Base-Base interactions energy: -463.041
where: short stacking energy: -198.257
Base-Backbone interact. energy: -0.236
local terms energy: -205.423971
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -40.306
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -31.471
tors. eta vs tors. theta energy: -50.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -399.811667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.811667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.811667 (E_RNA)
where:
Base-Base interactions energy: -222.229
where: short stacking energy: -120.112
Base-Backbone interact. energy: -0.249
local terms energy: -177.333893
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -46.352
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -227.472895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.472895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.472895 (E_RNA)
where:
Base-Base interactions energy: -64.615
where: short stacking energy: -63.373
Base-Backbone interact. energy: 1.231
local terms energy: -164.089316
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -28.293
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -982.453308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.453308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.453308 (E_RNA)
where:
Base-Base interactions energy: -694.449
where: short stacking energy: -281.849
Base-Backbone interact. energy: 0.774
local terms energy: -288.777759
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -54.567
flat angles C4'-P-C4' energy: -61.874
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -81.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -945.990664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.990664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.990664 (E_RNA)
where:
Base-Base interactions energy: -655.269
where: short stacking energy: -274.244
Base-Backbone interact. energy: -0.828
local terms energy: -289.893284
where:
bonds (distance) C4'-P energy: -54.860
bonds (distance) P-C4' energy: -54.432
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -77.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -906.622580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.622580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.622580 (E_RNA)
where:
Base-Base interactions energy: -627.619
where: short stacking energy: -260.393
Base-Backbone interact. energy: -1.396
local terms energy: -277.606769
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -50.807
flat angles P-C4'-P energy: -35.497
tors. eta vs tors. theta energy: -77.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -824.670195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.670195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.670195 (E_RNA)
where:
Base-Base interactions energy: -555.786
where: short stacking energy: -231.012
Base-Backbone interact. energy: 0.632
local terms energy: -269.515401
where:
bonds (distance) C4'-P energy: -50.754
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -51.843
flat angles P-C4'-P energy: -48.718
tors. eta vs tors. theta energy: -63.050
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: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -786.035224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.035224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.035224 (E_RNA)
where:
Base-Base interactions energy: -524.091
where: short stacking energy: -240.448
Base-Backbone interact. energy: -0.453
local terms energy: -261.491350
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -51.319
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -72.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -731.957360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.957360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.957360 (E_RNA)
where:
Base-Base interactions energy: -497.172
where: short stacking energy: -206.723
Base-Backbone interact. energy: -0.139
local terms energy: -234.646481
where:
bonds (distance) C4'-P energy: -43.790
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -54.264
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -55.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -772.195014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.195014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.195014 (E_RNA)
where:
Base-Base interactions energy: -525.206
where: short stacking energy: -237.970
Base-Backbone interact. energy: -0.445
local terms energy: -246.544332
where:
bonds (distance) C4'-P energy: -55.599
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -65.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -611.507438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.507438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.507438 (E_RNA)
where:
Base-Base interactions energy: -416.394
where: short stacking energy: -180.184
Base-Backbone interact. energy: 0.103
local terms energy: -195.215889
where:
bonds (distance) C4'-P energy: -41.149
bonds (distance) P-C4' energy: -33.003
flat angles C4'-P-C4' energy: -48.452
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -45.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -396.334471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.334471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.334471 (E_RNA)
where:
Base-Base interactions energy: -234.494
where: short stacking energy: -103.647
Base-Backbone interact. energy: 1.579
local terms energy: -163.419986
where:
bonds (distance) C4'-P energy: -35.218
bonds (distance) P-C4' energy: -49.193
flat angles C4'-P-C4' energy: -49.895
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -10.076
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: 267
Temperature: 1.350000
Total energy: -227.895206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.895206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.895206 (E_RNA)
where:
Base-Base interactions energy: -62.464
where: short stacking energy: -56.963
Base-Backbone interact. energy: 0.478
local terms energy: -165.909177
where:
bonds (distance) C4'-P energy: -47.409
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -41.175
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -962.104100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.104100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.104100 (E_RNA)
where:
Base-Base interactions energy: -684.140
where: short stacking energy: -284.857
Base-Backbone interact. energy: -0.632
local terms energy: -277.331231
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -53.991
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: -83.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -946.148135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.148135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.148135 (E_RNA)
where:
Base-Base interactions energy: -644.237
where: short stacking energy: -265.954
Base-Backbone interact. energy: -1.248
local terms energy: -300.663372
where:
bonds (distance) C4'-P energy: -62.461
bonds (distance) P-C4' energy: -52.593
flat angles C4'-P-C4' energy: -53.641
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -87.350
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -916.153488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.153488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.153488 (E_RNA)
where:
Base-Base interactions energy: -650.463
where: short stacking energy: -278.858
Base-Backbone interact. energy: -0.665
local terms energy: -265.026210
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -49.618
flat angles P-C4'-P energy: -36.621
tors. eta vs tors. theta energy: -85.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -874.867538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.867538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.867538 (E_RNA)
where:
Base-Base interactions energy: -603.772
where: short stacking energy: -255.988
Base-Backbone interact. energy: 0.560
local terms energy: -271.655786
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -55.047
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -80.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -782.845412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.845412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.845412 (E_RNA)
where:
Base-Base interactions energy: -527.592
where: short stacking energy: -227.218
Base-Backbone interact. energy: -0.391
local terms energy: -254.862752
where:
bonds (distance) C4'-P energy: -40.755
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -61.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -738.270039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.270039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.270039 (E_RNA)
where:
Base-Base interactions energy: -486.596
where: short stacking energy: -205.088
Base-Backbone interact. energy: -1.525
local terms energy: -250.149782
where:
bonds (distance) C4'-P energy: -57.260
bonds (distance) P-C4' energy: -55.895
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -56.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -763.346976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.346976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.346976 (E_RNA)
where:
Base-Base interactions energy: -536.498
where: short stacking energy: -212.686
Base-Backbone interact. energy: 0.839
local terms energy: -227.688295
where:
bonds (distance) C4'-P energy: -38.618
bonds (distance) P-C4' energy: -49.115
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -51.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -592.600271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.600271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.600271 (E_RNA)
where:
Base-Base interactions energy: -376.234
where: short stacking energy: -145.074
Base-Backbone interact. energy: -0.933
local terms energy: -215.432861
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -51.370
flat angles P-C4'-P energy: -28.856
tors. eta vs tors. theta energy: -31.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -401.567481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.567481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.567481 (E_RNA)
where:
Base-Base interactions energy: -218.956
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.831
local terms energy: -181.780466
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -53.095
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -219.844212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.844212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.844212 (E_RNA)
where:
Base-Base interactions energy: -80.572
where: short stacking energy: -57.528
Base-Backbone interact. energy: 3.860
local terms energy: -143.131816
where:
bonds (distance) C4'-P energy: -40.431
bonds (distance) P-C4' energy: -43.896
flat angles C4'-P-C4' energy: -44.426
flat angles P-C4'-P energy: -24.094
tors. eta vs tors. theta energy: 9.716
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: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -969.223870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.223870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.223870 (E_RNA)
where:
Base-Base interactions energy: -675.749
where: short stacking energy: -277.547
Base-Backbone interact. energy: 0.459
local terms energy: -293.933169
where:
bonds (distance) C4'-P energy: -52.620
bonds (distance) P-C4' energy: -54.648
flat angles C4'-P-C4' energy: -62.678
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -82.876
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: 269
Temperature: 0.950000
Total energy: -928.530604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.530604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.530604 (E_RNA)
where:
Base-Base interactions energy: -646.132
where: short stacking energy: -274.436
Base-Backbone interact. energy: 1.712
local terms energy: -284.110631
where:
bonds (distance) C4'-P energy: -49.566
bonds (distance) P-C4' energy: -49.167
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -80.055
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: 269
Temperature: 1.000000
Total energy: -943.344514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.344514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.344514 (E_RNA)
where:
Base-Base interactions energy: -653.851
where: short stacking energy: -287.898
Base-Backbone interact. energy: -1.232
local terms energy: -288.261118
where:
bonds (distance) C4'-P energy: -53.321
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -89.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -861.098780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.098780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.098780 (E_RNA)
where:
Base-Base interactions energy: -602.611
where: short stacking energy: -251.332
Base-Backbone interact. energy: 1.725
local terms energy: -260.212995
where:
bonds (distance) C4'-P energy: -41.301
bonds (distance) P-C4' energy: -52.893
flat angles C4'-P-C4' energy: -50.644
flat angles P-C4'-P energy: -43.503
tors. eta vs tors. theta energy: -71.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -832.751283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.751283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.751283 (E_RNA)
where:
Base-Base interactions energy: -572.010
where: short stacking energy: -239.405
Base-Backbone interact. energy: -0.490
local terms energy: -260.250744
where:
bonds (distance) C4'-P energy: -50.473
bonds (distance) P-C4' energy: -44.991
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -72.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -769.414691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.414691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.414691 (E_RNA)
where:
Base-Base interactions energy: -520.584
where: short stacking energy: -223.360
Base-Backbone interact. energy: -1.318
local terms energy: -247.513382
where:
bonds (distance) C4'-P energy: -49.034
bonds (distance) P-C4' energy: -45.573
flat angles C4'-P-C4' energy: -53.022
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -62.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -715.939263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.939263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.939263 (E_RNA)
where:
Base-Base interactions energy: -480.997
where: short stacking energy: -195.662
Base-Backbone interact. energy: 1.761
local terms energy: -236.703071
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -49.591
flat angles C4'-P-C4' energy: -50.289
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -59.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -622.361862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.361862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.361862 (E_RNA)
where:
Base-Base interactions energy: -406.304
where: short stacking energy: -177.984
Base-Backbone interact. energy: 1.568
local terms energy: -217.625864
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -36.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -445.564470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.564470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.564470 (E_RNA)
where:
Base-Base interactions energy: -280.830
where: short stacking energy: -124.589
Base-Backbone interact. energy: 2.439
local terms energy: -167.173556
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -21.176
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: 269
Temperature: 1.350000
Total energy: -215.973278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.973278 (E_RNA)
where:
Base-Base interactions energy: -63.264
where: short stacking energy: -49.947
Base-Backbone interact. energy: -1.136
local terms energy: -151.573900
where:
bonds (distance) C4'-P energy: -49.252
bonds (distance) P-C4' energy: -45.313
flat angles C4'-P-C4' energy: -37.425
flat angles P-C4'-P energy: -25.139
tors. eta vs tors. theta energy: 5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -961.718280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.718280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.718280 (E_RNA)
where:
Base-Base interactions energy: -675.216
where: short stacking energy: -281.820
Base-Backbone interact. energy: -0.879
local terms energy: -285.623552
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: -79.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -935.581003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.581003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.581003 (E_RNA)
where:
Base-Base interactions energy: -662.292
where: short stacking energy: -282.952
Base-Backbone interact. energy: -0.674
local terms energy: -272.614211
where:
bonds (distance) C4'-P energy: -43.822
bonds (distance) P-C4' energy: -43.211
flat angles C4'-P-C4' energy: -62.806
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -85.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -933.380411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.380411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.380411 (E_RNA)
where:
Base-Base interactions energy: -656.081
where: short stacking energy: -285.955
Base-Backbone interact. energy: -2.639
local terms energy: -274.660324
where:
bonds (distance) C4'-P energy: -42.076
bonds (distance) P-C4' energy: -52.571
flat angles C4'-P-C4' energy: -57.458
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -90.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -824.196002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.196002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.196002 (E_RNA)
where:
Base-Base interactions energy: -573.702
where: short stacking energy: -244.163
Base-Backbone interact. energy: -0.760
local terms energy: -249.734322
where:
bonds (distance) C4'-P energy: -46.397
bonds (distance) P-C4' energy: -49.425
flat angles C4'-P-C4' energy: -53.186
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -72.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -844.063512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.063512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.063512 (E_RNA)
where:
Base-Base interactions energy: -583.596
where: short stacking energy: -259.549
Base-Backbone interact. energy: 1.057
local terms energy: -261.524264
where:
bonds (distance) C4'-P energy: -46.394
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -54.598
flat angles P-C4'-P energy: -33.597
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: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -777.165144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.165144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.165144 (E_RNA)
where:
Base-Base interactions energy: -534.265
where: short stacking energy: -226.346
Base-Backbone interact. energy: -1.192
local terms energy: -241.708295
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -58.367
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -58.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -734.792436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.792436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.792436 (E_RNA)
where:
Base-Base interactions energy: -513.436
where: short stacking energy: -212.576
Base-Backbone interact. energy: -0.195
local terms energy: -221.161352
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -52.485
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -55.813
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: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -590.701707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.701707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.701707 (E_RNA)
where:
Base-Base interactions energy: -391.428
where: short stacking energy: -180.736
Base-Backbone interact. energy: -1.247
local terms energy: -198.026542
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -41.254
flat angles C4'-P-C4' energy: -42.005
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -41.283
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: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -472.152883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.152883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.152883 (E_RNA)
where:
Base-Base interactions energy: -296.356
where: short stacking energy: -138.057
Base-Backbone interact. energy: -0.338
local terms energy: -175.458865
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -29.210
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: 270
Temperature: 1.350000
Total energy: -236.866948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.866948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.866948 (E_RNA)
where:
Base-Base interactions energy: -94.196
where: short stacking energy: -62.510
Base-Backbone interact. energy: -1.700
local terms energy: -140.971440
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -45.130
flat angles C4'-P-C4' energy: -47.462
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: 10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -975.363739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.363739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.363739 (E_RNA)
where:
Base-Base interactions energy: -693.724
where: short stacking energy: -285.038
Base-Backbone interact. energy: 0.123
local terms energy: -281.763076
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -50.890
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -85.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -951.167812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.167812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.167812 (E_RNA)
where:
Base-Base interactions energy: -655.819
where: short stacking energy: -293.953
Base-Backbone interact. energy: -1.002
local terms energy: -294.346781
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -58.016
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -93.933
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: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -935.948727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.948727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.948727 (E_RNA)
where:
Base-Base interactions energy: -641.186
where: short stacking energy: -276.277
Base-Backbone interact. energy: -1.211
local terms energy: -293.551859
where:
bonds (distance) C4'-P energy: -50.514
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -89.824
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: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -859.173679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.173679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.173679 (E_RNA)
where:
Base-Base interactions energy: -604.968
where: short stacking energy: -248.323
Base-Backbone interact. energy: 0.319
local terms energy: -254.524581
where:
bonds (distance) C4'-P energy: -45.588
bonds (distance) P-C4' energy: -49.930
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -33.665
tors. eta vs tors. theta energy: -68.847
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: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -811.453192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.453192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.453192 (E_RNA)
where:
Base-Base interactions energy: -541.859
where: short stacking energy: -235.437
Base-Backbone interact. energy: -0.591
local terms energy: -269.002822
where:
bonds (distance) C4'-P energy: -56.604
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -57.823
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: -68.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -765.033532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.033532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.033532 (E_RNA)
where:
Base-Base interactions energy: -507.967
where: short stacking energy: -216.029
Base-Backbone interact. energy: -1.302
local terms energy: -255.763989
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -54.570
flat angles C4'-P-C4' energy: -54.772
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -60.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -753.338291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.338291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.338291 (E_RNA)
where:
Base-Base interactions energy: -516.057
where: short stacking energy: -224.011
Base-Backbone interact. energy: 1.795
local terms energy: -239.076564
where:
bonds (distance) C4'-P energy: -43.505
bonds (distance) P-C4' energy: -46.223
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -25.736
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: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -580.656046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.656046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.656046 (E_RNA)
where:
Base-Base interactions energy: -363.168
where: short stacking energy: -153.304
Base-Backbone interact. energy: -0.868
local terms energy: -216.619983
where:
bonds (distance) C4'-P energy: -48.558
bonds (distance) P-C4' energy: -58.753
flat angles C4'-P-C4' energy: -53.854
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -505.660035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.660035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.660035 (E_RNA)
where:
Base-Base interactions energy: -309.913
where: short stacking energy: -143.275
Base-Backbone interact. energy: -1.316
local terms energy: -194.430380
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -230.112095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.112095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.112095 (E_RNA)
where:
Base-Base interactions energy: -99.881
where: short stacking energy: -50.880
Base-Backbone interact. energy: 3.162
local terms energy: -133.393093
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -50.247
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: 18.941
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: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -985.706152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.706152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.706152 (E_RNA)
where:
Base-Base interactions energy: -684.544
where: short stacking energy: -287.500
Base-Backbone interact. energy: -0.617
local terms energy: -300.545247
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -59.224
flat angles P-C4'-P energy: -50.125
tors. eta vs tors. theta energy: -82.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -950.887441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.887441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.887441 (E_RNA)
where:
Base-Base interactions energy: -664.796
where: short stacking energy: -296.634
Base-Backbone interact. energy: -0.231
local terms energy: -285.860626
where:
bonds (distance) C4'-P energy: -51.854
bonds (distance) P-C4' energy: -54.627
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -37.546
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: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -920.653650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.653650 (E_RNA)
where:
Base-Base interactions energy: -651.303
where: short stacking energy: -277.799
Base-Backbone interact. energy: 1.409
local terms energy: -270.760362
where:
bonds (distance) C4'-P energy: -43.379
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -87.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -862.047573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.047573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.047573 (E_RNA)
where:
Base-Base interactions energy: -603.374
where: short stacking energy: -266.715
Base-Backbone interact. energy: 1.168
local terms energy: -259.841878
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -50.086
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -73.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -809.628208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.628208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.628208 (E_RNA)
where:
Base-Base interactions energy: -551.639
where: short stacking energy: -241.127
Base-Backbone interact. energy: -0.315
local terms energy: -257.674764
where:
bonds (distance) C4'-P energy: -38.226
bonds (distance) P-C4' energy: -52.585
flat angles C4'-P-C4' energy: -57.043
flat angles P-C4'-P energy: -38.003
tors. eta vs tors. theta energy: -71.818
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: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -757.260396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.260396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.260396 (E_RNA)
where:
Base-Base interactions energy: -511.571
where: short stacking energy: -228.807
Base-Backbone interact. energy: -1.963
local terms energy: -243.727239
where:
bonds (distance) C4'-P energy: -50.058
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -49.310
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -69.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -711.972024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.972024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.972024 (E_RNA)
where:
Base-Base interactions energy: -478.573
where: short stacking energy: -209.197
Base-Backbone interact. energy: 1.066
local terms energy: -234.464889
where:
bonds (distance) C4'-P energy: -51.687
bonds (distance) P-C4' energy: -52.033
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -31.953
tors. eta vs tors. theta energy: -52.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -582.447358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.447358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.447358 (E_RNA)
where:
Base-Base interactions energy: -378.012
where: short stacking energy: -156.898
Base-Backbone interact. energy: -0.305
local terms energy: -204.129905
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -50.616
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -34.048
tors. eta vs tors. theta energy: -30.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -488.928174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.928174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.928174 (E_RNA)
where:
Base-Base interactions energy: -298.790
where: short stacking energy: -151.098
Base-Backbone interact. energy: -0.900
local terms energy: -189.238164
where:
bonds (distance) C4'-P energy: -42.526
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -34.909
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: 272
Temperature: 1.350000
Total energy: -234.878630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.878630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.878630 (E_RNA)
where:
Base-Base interactions energy: -71.487
where: short stacking energy: -49.942
Base-Backbone interact. energy: -0.778
local terms energy: -162.613977
where:
bonds (distance) C4'-P energy: -46.152
bonds (distance) P-C4' energy: -50.780
flat angles C4'-P-C4' energy: -46.903
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: 6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -995.159326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.159326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.159326 (E_RNA)
where:
Base-Base interactions energy: -698.393
where: short stacking energy: -287.402
Base-Backbone interact. energy: 3.889
local terms energy: -300.655005
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -58.365
flat angles C4'-P-C4' energy: -61.972
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -86.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -961.642969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.642969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.642969 (E_RNA)
where:
Base-Base interactions energy: -651.550
where: short stacking energy: -271.751
Base-Backbone interact. energy: -1.826
local terms energy: -308.266478
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -59.820
flat angles C4'-P-C4' energy: -60.065
flat angles P-C4'-P energy: -47.484
tors. eta vs tors. theta energy: -87.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -926.246871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.246871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.246871 (E_RNA)
where:
Base-Base interactions energy: -634.978
where: short stacking energy: -267.953
Base-Backbone interact. energy: -0.742
local terms energy: -290.526579
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -60.806
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -84.304
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -879.954254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.954254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.954254 (E_RNA)
where:
Base-Base interactions energy: -601.103
where: short stacking energy: -265.421
Base-Backbone interact. energy: -0.393
local terms energy: -278.457574
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -60.434
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -76.324
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: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -812.622718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.622718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.622718 (E_RNA)
where:
Base-Base interactions energy: -554.091
where: short stacking energy: -235.494
Base-Backbone interact. energy: -0.751
local terms energy: -257.780271
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -45.810
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -43.346
tors. eta vs tors. theta energy: -69.887
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: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -786.566381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.566381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.566381 (E_RNA)
where:
Base-Base interactions energy: -533.646
where: short stacking energy: -233.087
Base-Backbone interact. energy: -0.372
local terms energy: -252.547880
where:
bonds (distance) C4'-P energy: -53.216
bonds (distance) P-C4' energy: -45.146
flat angles C4'-P-C4' energy: -57.827
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -65.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -737.635852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.635852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.635852 (E_RNA)
where:
Base-Base interactions energy: -490.188
where: short stacking energy: -193.750
Base-Backbone interact. energy: -1.191
local terms energy: -246.256393
where:
bonds (distance) C4'-P energy: -40.943
bonds (distance) P-C4' energy: -59.354
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -59.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -595.036158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.036158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.036158 (E_RNA)
where:
Base-Base interactions energy: -415.486
where: short stacking energy: -157.512
Base-Backbone interact. energy: -2.392
local terms energy: -177.158322
where:
bonds (distance) C4'-P energy: -37.413
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -46.422
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -503.040824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.040824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.040824 (E_RNA)
where:
Base-Base interactions energy: -306.584
where: short stacking energy: -140.233
Base-Backbone interact. energy: -1.043
local terms energy: -195.413413
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -47.104
flat angles C4'-P-C4' energy: -41.989
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -24.782
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: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -267.743054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.743054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.743054 (E_RNA)
where:
Base-Base interactions energy: -108.118
where: short stacking energy: -78.656
Base-Backbone interact. energy: -1.085
local terms energy: -158.540360
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -47.748
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -951.102171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.102171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.102171 (E_RNA)
where:
Base-Base interactions energy: -651.108
where: short stacking energy: -270.079
Base-Backbone interact. energy: 0.165
local terms energy: -300.159713
where:
bonds (distance) C4'-P energy: -53.956
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -65.363
flat angles P-C4'-P energy: -41.671
tors. eta vs tors. theta energy: -87.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -957.847091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.847091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.847091 (E_RNA)
where:
Base-Base interactions energy: -676.830
where: short stacking energy: -279.823
Base-Backbone interact. energy: -0.563
local terms energy: -280.453526
where:
bonds (distance) C4'-P energy: -38.972
bonds (distance) P-C4' energy: -58.494
flat angles C4'-P-C4' energy: -62.313
flat angles P-C4'-P energy: -37.518
tors. eta vs tors. theta energy: -83.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -935.587425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.587425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.587425 (E_RNA)
where:
Base-Base interactions energy: -660.383
where: short stacking energy: -282.336
Base-Backbone interact. energy: -0.471
local terms energy: -274.734010
where:
bonds (distance) C4'-P energy: -37.617
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -35.944
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -868.650179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.650179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.650179 (E_RNA)
where:
Base-Base interactions energy: -598.446
where: short stacking energy: -275.968
Base-Backbone interact. energy: -0.105
local terms energy: -270.099456
where:
bonds (distance) C4'-P energy: -45.713
bonds (distance) P-C4' energy: -46.075
flat angles C4'-P-C4' energy: -59.708
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -79.158
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: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -813.488476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.488476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.488476 (E_RNA)
where:
Base-Base interactions energy: -560.484
where: short stacking energy: -252.157
Base-Backbone interact. energy: 0.580
local terms energy: -253.583627
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -45.998
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -36.845
tors. eta vs tors. theta energy: -78.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -750.787571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.787571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.787571 (E_RNA)
where:
Base-Base interactions energy: -512.817
where: short stacking energy: -236.269
Base-Backbone interact. energy: -0.582
local terms energy: -237.388610
where:
bonds (distance) C4'-P energy: -40.692
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -40.855
tors. eta vs tors. theta energy: -63.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -739.662133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.662133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.662133 (E_RNA)
where:
Base-Base interactions energy: -496.663
where: short stacking energy: -195.921
Base-Backbone interact. energy: -0.773
local terms energy: -242.226164
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -51.085
flat angles C4'-P-C4' energy: -54.504
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -61.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -618.003749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.003749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.003749 (E_RNA)
where:
Base-Base interactions energy: -415.585
where: short stacking energy: -182.478
Base-Backbone interact. energy: 0.090
local terms energy: -202.509653
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -47.121
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -43.770
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -482.356555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.356555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.356555 (E_RNA)
where:
Base-Base interactions energy: -329.741
where: short stacking energy: -146.887
Base-Backbone interact. energy: -0.901
local terms energy: -151.714365
where:
bonds (distance) C4'-P energy: -31.408
bonds (distance) P-C4' energy: -35.042
flat angles C4'-P-C4' energy: -36.159
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -26.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -271.788732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.788732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.788732 (E_RNA)
where:
Base-Base interactions energy: -144.233
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.703
local terms energy: -126.852428
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -38.767
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -971.457662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.457662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.457662 (E_RNA)
where:
Base-Base interactions energy: -680.821
where: short stacking energy: -285.496
Base-Backbone interact. energy: 0.746
local terms energy: -291.382887
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -62.431
flat angles C4'-P-C4' energy: -62.848
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -80.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -946.957082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.957082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.957082 (E_RNA)
where:
Base-Base interactions energy: -659.648
where: short stacking energy: -287.126
Base-Backbone interact. energy: -0.986
local terms energy: -286.323132
where:
bonds (distance) C4'-P energy: -46.781
bonds (distance) P-C4' energy: -59.178
flat angles C4'-P-C4' energy: -63.869
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -80.490
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: 275
Temperature: 1.000000
Total energy: -934.373107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.373107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.373107 (E_RNA)
where:
Base-Base interactions energy: -660.121
where: short stacking energy: -279.218
Base-Backbone interact. energy: 0.668
local terms energy: -274.920121
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -57.995
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -86.612
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: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -841.874105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.874105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.874105 (E_RNA)
where:
Base-Base interactions energy: -572.777
where: short stacking energy: -245.330
Base-Backbone interact. energy: -1.789
local terms energy: -267.307453
where:
bonds (distance) C4'-P energy: -53.690
bonds (distance) P-C4' energy: -46.544
flat angles C4'-P-C4' energy: -62.281
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -68.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -803.066464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.066464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.066464 (E_RNA)
where:
Base-Base interactions energy: -561.417
where: short stacking energy: -235.067
Base-Backbone interact. energy: -0.518
local terms energy: -241.131829
where:
bonds (distance) C4'-P energy: -42.970
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -61.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -775.158763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.158763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.158763 (E_RNA)
where:
Base-Base interactions energy: -532.132
where: short stacking energy: -206.953
Base-Backbone interact. energy: -0.190
local terms energy: -242.836314
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -43.398
flat angles C4'-P-C4' energy: -51.872
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -66.026
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -756.793455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.793455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.793455 (E_RNA)
where:
Base-Base interactions energy: -496.359
where: short stacking energy: -204.764
Base-Backbone interact. energy: 1.333
local terms energy: -261.767841
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -55.423
flat angles C4'-P-C4' energy: -57.869
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -64.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -629.824760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.824760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.824760 (E_RNA)
where:
Base-Base interactions energy: -430.078
where: short stacking energy: -174.378
Base-Backbone interact. energy: -0.932
local terms energy: -198.814683
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -53.636
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -41.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -424.266135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.266135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.266135 (E_RNA)
where:
Base-Base interactions energy: -260.168
where: short stacking energy: -133.522
Base-Backbone interact. energy: -2.865
local terms energy: -161.232365
where:
bonds (distance) C4'-P energy: -30.249
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -43.690
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -249.255296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.255296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.255296 (E_RNA)
where:
Base-Base interactions energy: -99.787
where: short stacking energy: -57.352
Base-Backbone interact. energy: -0.713
local terms energy: -148.755745
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -41.021
flat angles C4'-P-C4' energy: -42.561
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: 6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -968.339631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.339631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.339631 (E_RNA)
where:
Base-Base interactions energy: -675.207
where: short stacking energy: -277.871
Base-Backbone interact. energy: 0.249
local terms energy: -293.381176
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -53.183
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -87.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -944.766649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.766649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.766649 (E_RNA)
where:
Base-Base interactions energy: -656.328
where: short stacking energy: -267.717
Base-Backbone interact. energy: -2.093
local terms energy: -286.346145
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -47.089
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -43.933
tors. eta vs tors. theta energy: -82.828
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -928.207252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.207252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.207252 (E_RNA)
where:
Base-Base interactions energy: -638.919
where: short stacking energy: -276.097
Base-Backbone interact. energy: -1.208
local terms energy: -288.080007
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -56.297
flat angles P-C4'-P energy: -36.922
tors. eta vs tors. theta energy: -87.359
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: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -839.649309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.649309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.649309 (E_RNA)
where:
Base-Base interactions energy: -564.540
where: short stacking energy: -254.942
Base-Backbone interact. energy: -0.826
local terms energy: -274.283407
where:
bonds (distance) C4'-P energy: -46.977
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -60.273
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: -71.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -803.217370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.217370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.217370 (E_RNA)
where:
Base-Base interactions energy: -533.145
where: short stacking energy: -226.376
Base-Backbone interact. energy: -0.260
local terms energy: -269.811874
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -54.060
flat angles C4'-P-C4' energy: -54.493
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: -64.709
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: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -804.949760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.949760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.949760 (E_RNA)
where:
Base-Base interactions energy: -535.356
where: short stacking energy: -218.528
Base-Backbone interact. energy: 0.298
local terms energy: -269.891515
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -60.352
flat angles C4'-P-C4' energy: -61.972
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: -63.781
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -769.079576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.079576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.079576 (E_RNA)
where:
Base-Base interactions energy: -518.847
where: short stacking energy: -231.350
Base-Backbone interact. energy: 1.287
local terms energy: -251.519896
where:
bonds (distance) C4'-P energy: -53.102
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -48.928
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -69.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -628.635775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.635775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.635775 (E_RNA)
where:
Base-Base interactions energy: -428.122
where: short stacking energy: -184.576
Base-Backbone interact. energy: 2.805
local terms energy: -203.319275
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -48.268
flat angles C4'-P-C4' energy: -39.234
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -37.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -455.289352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.289352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.289352 (E_RNA)
where:
Base-Base interactions energy: -283.342
where: short stacking energy: -131.747
Base-Backbone interact. energy: -0.974
local terms energy: -170.973471
where:
bonds (distance) C4'-P energy: -48.234
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -43.701
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -21.087
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: 276
Temperature: 1.350000
Total energy: -228.586324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.586324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.586324 (E_RNA)
where:
Base-Base interactions energy: -84.522
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.911
local terms energy: -143.153853
where:
bonds (distance) C4'-P energy: -45.927
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: 6.705
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -960.488207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.488207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.488207 (E_RNA)
where:
Base-Base interactions energy: -687.542
where: short stacking energy: -284.455
Base-Backbone interact. energy: -0.369
local terms energy: -272.577595
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -56.104
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -84.177
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: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -957.856703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.856703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.856703 (E_RNA)
where:
Base-Base interactions energy: -658.647
where: short stacking energy: -289.846
Base-Backbone interact. energy: -1.014
local terms energy: -298.195683
where:
bonds (distance) C4'-P energy: -55.223
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -42.097
tors. eta vs tors. theta energy: -91.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -920.090346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.090346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.090346 (E_RNA)
where:
Base-Base interactions energy: -633.067
where: short stacking energy: -269.252
Base-Backbone interact. energy: -1.868
local terms energy: -285.155687
where:
bonds (distance) C4'-P energy: -56.760
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -54.980
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -84.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -845.216368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.216368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.216368 (E_RNA)
where:
Base-Base interactions energy: -586.154
where: short stacking energy: -262.567
Base-Backbone interact. energy: 0.684
local terms energy: -259.745788
where:
bonds (distance) C4'-P energy: -37.782
bonds (distance) P-C4' energy: -53.876
flat angles C4'-P-C4' energy: -60.348
flat angles P-C4'-P energy: -36.067
tors. eta vs tors. theta energy: -71.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -787.066038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.066038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.066038 (E_RNA)
where:
Base-Base interactions energy: -552.458
where: short stacking energy: -223.847
Base-Backbone interact. energy: 1.132
local terms energy: -235.740229
where:
bonds (distance) C4'-P energy: -33.918
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -56.769
flat angles P-C4'-P energy: -34.907
tors. eta vs tors. theta energy: -64.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -772.453618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.453618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.453618 (E_RNA)
where:
Base-Base interactions energy: -527.073
where: short stacking energy: -209.687
Base-Backbone interact. energy: -1.969
local terms energy: -243.411608
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -42.409
flat angles C4'-P-C4' energy: -48.895
flat angles P-C4'-P energy: -39.832
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: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -782.950358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.950358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.950358 (E_RNA)
where:
Base-Base interactions energy: -535.329
where: short stacking energy: -217.207
Base-Backbone interact. energy: -0.927
local terms energy: -246.695038
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -40.702
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: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -631.640353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.640353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.640353 (E_RNA)
where:
Base-Base interactions energy: -409.314
where: short stacking energy: -170.000
Base-Backbone interact. energy: -1.606
local terms energy: -220.720459
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -56.983
flat angles C4'-P-C4' energy: -42.610
flat angles P-C4'-P energy: -31.792
tors. eta vs tors. theta energy: -43.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -447.132510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.132510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.132510 (E_RNA)
where:
Base-Base interactions energy: -256.220
where: short stacking energy: -130.962
Base-Backbone interact. energy: -0.911
local terms energy: -190.001206
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -23.492
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: 277
Temperature: 1.350000
Total energy: -251.733457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.733457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.733457 (E_RNA)
where:
Base-Base interactions energy: -90.757
where: short stacking energy: -67.093
Base-Backbone interact. energy: 0.791
local terms energy: -161.767255
where:
bonds (distance) C4'-P energy: -49.535
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: 0.389
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: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -963.682132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.682132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.682132 (E_RNA)
where:
Base-Base interactions energy: -671.911
where: short stacking energy: -289.477
Base-Backbone interact. energy: 2.492
local terms energy: -294.262771
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -48.804
flat angles C4'-P-C4' energy: -59.423
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -88.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -937.223197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.223197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.223197 (E_RNA)
where:
Base-Base interactions energy: -643.630
where: short stacking energy: -263.711
Base-Backbone interact. energy: -0.945
local terms energy: -292.649039
where:
bonds (distance) C4'-P energy: -54.149
bonds (distance) P-C4' energy: -57.361
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -83.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -919.070417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.070417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.070417 (E_RNA)
where:
Base-Base interactions energy: -647.094
where: short stacking energy: -281.749
Base-Backbone interact. energy: -0.870
local terms energy: -271.106347
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -40.841
flat angles C4'-P-C4' energy: -63.592
flat angles P-C4'-P energy: -34.994
tors. eta vs tors. theta energy: -83.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -829.317708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.317708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.317708 (E_RNA)
where:
Base-Base interactions energy: -562.504
where: short stacking energy: -248.786
Base-Backbone interact. energy: -0.190
local terms energy: -266.624358
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -47.836
flat angles C4'-P-C4' energy: -58.743
flat angles P-C4'-P energy: -41.691
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: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -792.219372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.219372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.219372 (E_RNA)
where:
Base-Base interactions energy: -536.141
where: short stacking energy: -222.421
Base-Backbone interact. energy: 2.010
local terms energy: -258.088210
where:
bonds (distance) C4'-P energy: -53.549
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -56.488
flat angles P-C4'-P energy: -31.586
tors. eta vs tors. theta energy: -66.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -758.160709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.160709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.160709 (E_RNA)
where:
Base-Base interactions energy: -523.807
where: short stacking energy: -217.011
Base-Backbone interact. energy: 1.343
local terms energy: -235.697010
where:
bonds (distance) C4'-P energy: -40.388
bonds (distance) P-C4' energy: -51.596
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -53.713
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: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -798.188437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.188437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.188437 (E_RNA)
where:
Base-Base interactions energy: -545.673
where: short stacking energy: -243.022
Base-Backbone interact. energy: -1.763
local terms energy: -250.752828
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -55.767
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -70.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -611.487467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.487467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.487467 (E_RNA)
where:
Base-Base interactions energy: -417.741
where: short stacking energy: -167.261
Base-Backbone interact. energy: 2.177
local terms energy: -195.924054
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -39.272
flat angles C4'-P-C4' energy: -48.764
flat angles P-C4'-P energy: -35.342
tors. eta vs tors. theta energy: -35.997
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: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -442.367107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.367107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.367107 (E_RNA)
where:
Base-Base interactions energy: -254.424
where: short stacking energy: -130.514
Base-Backbone interact. energy: 1.524
local terms energy: -189.466953
where:
bonds (distance) C4'-P energy: -54.916
bonds (distance) P-C4' energy: -40.572
flat angles C4'-P-C4' energy: -36.650
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -267.893364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.893364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.893364 (E_RNA)
where:
Base-Base interactions energy: -113.138
where: short stacking energy: -54.532
Base-Backbone interact. energy: 3.172
local terms energy: -157.927445
where:
bonds (distance) C4'-P energy: -44.659
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -40.309
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: 10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -959.294962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.294962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.294962 (E_RNA)
where:
Base-Base interactions energy: -667.077
where: short stacking energy: -285.951
Base-Backbone interact. energy: 3.813
local terms energy: -296.030706
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -62.717
flat angles P-C4'-P energy: -42.977
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -928.829825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.829825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.829825 (E_RNA)
where:
Base-Base interactions energy: -641.408
where: short stacking energy: -271.460
Base-Backbone interact. energy: -1.085
local terms energy: -286.336395
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -62.961
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -81.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -916.747572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.747572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.747572 (E_RNA)
where:
Base-Base interactions energy: -642.354
where: short stacking energy: -273.063
Base-Backbone interact. energy: -0.632
local terms energy: -273.761402
where:
bonds (distance) C4'-P energy: -43.967
bonds (distance) P-C4' energy: -47.921
flat angles C4'-P-C4' energy: -58.599
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -75.927
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: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -855.799763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.799763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.799763 (E_RNA)
where:
Base-Base interactions energy: -584.475
where: short stacking energy: -264.362
Base-Backbone interact. energy: -0.435
local terms energy: -270.889589
where:
bonds (distance) C4'-P energy: -42.490
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -38.564
tors. eta vs tors. theta energy: -77.172
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: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -795.947232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.947232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.947232 (E_RNA)
where:
Base-Base interactions energy: -570.360
where: short stacking energy: -227.557
Base-Backbone interact. energy: 0.574
local terms energy: -226.161216
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -50.052
flat angles C4'-P-C4' energy: -55.445
flat angles P-C4'-P energy: -33.725
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: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -796.321162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.321162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.321162 (E_RNA)
where:
Base-Base interactions energy: -536.381
where: short stacking energy: -240.107
Base-Backbone interact. energy: -0.192
local terms energy: -259.748300
where:
bonds (distance) C4'-P energy: -45.188
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -37.266
tors. eta vs tors. theta energy: -70.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -763.251669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.251669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.251669 (E_RNA)
where:
Base-Base interactions energy: -525.740
where: short stacking energy: -213.463
Base-Backbone interact. energy: -0.448
local terms energy: -237.064014
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -41.980
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -56.876
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: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -613.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.410176 (E_RNA)
where:
Base-Base interactions energy: -408.741
where: short stacking energy: -169.666
Base-Backbone interact. energy: -0.683
local terms energy: -203.987111
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -42.967
flat angles C4'-P-C4' energy: -51.757
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -37.366
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: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -461.782741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.782741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.782741 (E_RNA)
where:
Base-Base interactions energy: -265.057
where: short stacking energy: -129.176
Base-Backbone interact. energy: -0.787
local terms energy: -195.938815
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -44.862
flat angles C4'-P-C4' energy: -45.457
flat angles P-C4'-P energy: -32.279
tors. eta vs tors. theta energy: -28.237
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: 279
Temperature: 1.350000
Total energy: -286.597524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.597524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.597524 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.337
local terms energy: -153.475146
where:
bonds (distance) C4'-P energy: -42.204
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: 3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -970.804997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.804997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.804997 (E_RNA)
where:
Base-Base interactions energy: -671.988
where: short stacking energy: -286.632
Base-Backbone interact. energy: -0.148
local terms energy: -298.669558
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -54.409
flat angles P-C4'-P energy: -40.234
tors. eta vs tors. theta energy: -91.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -947.774284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.774284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.774284 (E_RNA)
where:
Base-Base interactions energy: -665.249
where: short stacking energy: -280.831
Base-Backbone interact. energy: -1.318
local terms energy: -281.208053
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -90.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -910.120113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.120113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.120113 (E_RNA)
where:
Base-Base interactions energy: -639.700
where: short stacking energy: -269.797
Base-Backbone interact. energy: 0.400
local terms energy: -270.820793
where:
bonds (distance) C4'-P energy: -56.723
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -52.605
flat angles P-C4'-P energy: -34.290
tors. eta vs tors. theta energy: -77.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -830.355443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.355443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.355443 (E_RNA)
where:
Base-Base interactions energy: -583.838
where: short stacking energy: -269.749
Base-Backbone interact. energy: 4.395
local terms energy: -250.911752
where:
bonds (distance) C4'-P energy: -40.275
bonds (distance) P-C4' energy: -54.577
flat angles C4'-P-C4' energy: -44.006
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -76.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -854.154687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.154687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.154687 (E_RNA)
where:
Base-Base interactions energy: -584.277
where: short stacking energy: -250.356
Base-Backbone interact. energy: -1.453
local terms energy: -268.424881
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -53.909
flat angles C4'-P-C4' energy: -55.569
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: -72.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -762.789169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.789169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.789169 (E_RNA)
where:
Base-Base interactions energy: -526.378
where: short stacking energy: -218.246
Base-Backbone interact. energy: -1.379
local terms energy: -235.032743
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -42.564
flat angles C4'-P-C4' energy: -55.666
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -62.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -773.861696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.861696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.861696 (E_RNA)
where:
Base-Base interactions energy: -550.026
where: short stacking energy: -235.641
Base-Backbone interact. energy: 0.356
local terms energy: -224.191417
where:
bonds (distance) C4'-P energy: -43.072
bonds (distance) P-C4' energy: -43.351
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -57.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -605.947932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.947932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.947932 (E_RNA)
where:
Base-Base interactions energy: -419.980
where: short stacking energy: -166.790
Base-Backbone interact. energy: 1.447
local terms energy: -187.415137
where:
bonds (distance) C4'-P energy: -39.781
bonds (distance) P-C4' energy: -44.135
flat angles C4'-P-C4' energy: -50.183
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -23.229
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -480.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.798677 (E_RNA)
where:
Base-Base interactions energy: -279.960
where: short stacking energy: -131.256
Base-Backbone interact. energy: 1.617
local terms energy: -202.456505
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -56.767
flat angles C4'-P-C4' energy: -38.439
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -286.312953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.312953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.312953 (E_RNA)
where:
Base-Base interactions energy: -135.592
where: short stacking energy: -99.746
Base-Backbone interact. energy: 1.000
local terms energy: -151.721131
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -48.330
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -949.038185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.038185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.038185 (E_RNA)
where:
Base-Base interactions energy: -640.902
where: short stacking energy: -286.460
Base-Backbone interact. energy: -0.585
local terms energy: -307.550857
where:
bonds (distance) C4'-P energy: -58.565
bonds (distance) P-C4' energy: -55.362
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -90.159
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: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -962.173120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.173120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.173120 (E_RNA)
where:
Base-Base interactions energy: -663.387
where: short stacking energy: -291.965
Base-Backbone interact. energy: -0.208
local terms energy: -298.578173
where:
bonds (distance) C4'-P energy: -53.515
bonds (distance) P-C4' energy: -51.797
flat angles C4'-P-C4' energy: -59.789
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -90.582
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: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -916.330103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.330103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.330103 (E_RNA)
where:
Base-Base interactions energy: -660.115
where: short stacking energy: -278.527
Base-Backbone interact. energy: 0.034
local terms energy: -256.249303
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -59.361
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -82.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -859.315784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.315784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.315784 (E_RNA)
where:
Base-Base interactions energy: -581.722
where: short stacking energy: -259.152
Base-Backbone interact. energy: -1.226
local terms energy: -276.367926
where:
bonds (distance) C4'-P energy: -46.515
bonds (distance) P-C4' energy: -50.419
flat angles C4'-P-C4' energy: -62.778
flat angles P-C4'-P energy: -44.312
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: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -825.926139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.926139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.926139 (E_RNA)
where:
Base-Base interactions energy: -554.150
where: short stacking energy: -235.525
Base-Backbone interact. energy: -0.642
local terms energy: -271.133885
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -57.982
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -71.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -810.211059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.211059 (E_RNA)
where:
Base-Base interactions energy: -549.407
where: short stacking energy: -230.970
Base-Backbone interact. energy: 0.080
local terms energy: -260.883918
where:
bonds (distance) C4'-P energy: -56.513
bonds (distance) P-C4' energy: -50.225
flat angles C4'-P-C4' energy: -49.385
flat angles P-C4'-P energy: -35.714
tors. eta vs tors. theta energy: -69.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -743.642886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.642886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.642886 (E_RNA)
where:
Base-Base interactions energy: -502.283
where: short stacking energy: -204.370
Base-Backbone interact. energy: -1.073
local terms energy: -240.286905
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -52.945
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -54.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -602.341745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.341745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.341745 (E_RNA)
where:
Base-Base interactions energy: -404.069
where: short stacking energy: -184.786
Base-Backbone interact. energy: -0.680
local terms energy: -197.592271
where:
bonds (distance) C4'-P energy: -46.297
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -50.272
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -42.367
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: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -475.493029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.493029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.493029 (E_RNA)
where:
Base-Base interactions energy: -289.072
where: short stacking energy: -134.408
Base-Backbone interact. energy: 1.672
local terms energy: -188.093709
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -47.867
flat angles C4'-P-C4' energy: -43.968
flat angles P-C4'-P energy: -37.124
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -282.412948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.412948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.412948 (E_RNA)
where:
Base-Base interactions energy: -133.393
where: short stacking energy: -83.536
Base-Backbone interact. energy: -1.248
local terms energy: -147.771881
where:
bonds (distance) C4'-P energy: -42.375
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -975.577077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.577077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.577077 (E_RNA)
where:
Base-Base interactions energy: -668.428
where: short stacking energy: -282.480
Base-Backbone interact. energy: -1.484
local terms energy: -305.665189
where:
bonds (distance) C4'-P energy: -57.116
bonds (distance) P-C4' energy: -57.863
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -42.380
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: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -957.950469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.950469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.950469 (E_RNA)
where:
Base-Base interactions energy: -658.184
where: short stacking energy: -284.226
Base-Backbone interact. energy: -1.675
local terms energy: -298.091886
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -64.621
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: -87.152
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: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -882.970481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.970481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.970481 (E_RNA)
where:
Base-Base interactions energy: -605.815
where: short stacking energy: -274.740
Base-Backbone interact. energy: -0.850
local terms energy: -276.305620
where:
bonds (distance) C4'-P energy: -44.724
bonds (distance) P-C4' energy: -58.762
flat angles C4'-P-C4' energy: -58.299
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -74.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -885.149703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.149703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.149703 (E_RNA)
where:
Base-Base interactions energy: -634.175
where: short stacking energy: -255.530
Base-Backbone interact. energy: 1.014
local terms energy: -251.988453
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -75.063
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: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -831.685674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.685674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.685674 (E_RNA)
where:
Base-Base interactions energy: -571.696
where: short stacking energy: -252.783
Base-Backbone interact. energy: -0.586
local terms energy: -259.403536
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -52.494
flat angles P-C4'-P energy: -41.315
tors. eta vs tors. theta energy: -66.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -808.630102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.630102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.630102 (E_RNA)
where:
Base-Base interactions energy: -550.773
where: short stacking energy: -240.732
Base-Backbone interact. energy: -1.230
local terms energy: -256.626762
where:
bonds (distance) C4'-P energy: -48.826
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -54.988
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: -65.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -730.100028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.100028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.100028 (E_RNA)
where:
Base-Base interactions energy: -515.511
where: short stacking energy: -229.561
Base-Backbone interact. energy: 1.186
local terms energy: -215.775129
where:
bonds (distance) C4'-P energy: -37.931
bonds (distance) P-C4' energy: -38.548
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -26.500
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: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -614.154452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.154452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.154452 (E_RNA)
where:
Base-Base interactions energy: -403.456
where: short stacking energy: -170.256
Base-Backbone interact. energy: -1.597
local terms energy: -209.101184
where:
bonds (distance) C4'-P energy: -41.384
bonds (distance) P-C4' energy: -41.957
flat angles C4'-P-C4' energy: -49.926
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -42.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -500.595995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.595995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.595995 (E_RNA)
where:
Base-Base interactions energy: -297.641
where: short stacking energy: -141.356
Base-Backbone interact. energy: -0.128
local terms energy: -202.827087
where:
bonds (distance) C4'-P energy: -50.352
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -50.148
flat angles P-C4'-P energy: -33.719
tors. eta vs tors. theta energy: -35.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -291.544412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.544412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.544412 (E_RNA)
where:
Base-Base interactions energy: -142.511
where: short stacking energy: -80.057
Base-Backbone interact. energy: -0.289
local terms energy: -148.745199
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: 8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -964.297279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.297279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.297279 (E_RNA)
where:
Base-Base interactions energy: -665.642
where: short stacking energy: -285.732
Base-Backbone interact. energy: -0.158
local terms energy: -298.496342
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -55.835
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -90.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -956.258173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.258173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.258173 (E_RNA)
where:
Base-Base interactions energy: -665.491
where: short stacking energy: -288.847
Base-Backbone interact. energy: -0.191
local terms energy: -290.575881
where:
bonds (distance) C4'-P energy: -54.230
bonds (distance) P-C4' energy: -51.991
flat angles C4'-P-C4' energy: -55.989
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -85.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -880.629304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.629304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.629304 (E_RNA)
where:
Base-Base interactions energy: -608.743
where: short stacking energy: -286.070
Base-Backbone interact. energy: -0.934
local terms energy: -270.951691
where:
bonds (distance) C4'-P energy: -40.789
bonds (distance) P-C4' energy: -53.776
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -82.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -879.877070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.877070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.877070 (E_RNA)
where:
Base-Base interactions energy: -609.596
where: short stacking energy: -237.295
Base-Backbone interact. energy: -0.085
local terms energy: -270.196880
where:
bonds (distance) C4'-P energy: -49.761
bonds (distance) P-C4' energy: -55.410
flat angles C4'-P-C4' energy: -61.686
flat angles P-C4'-P energy: -35.633
tors. eta vs tors. theta energy: -67.707
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: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -821.123361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.123361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.123361 (E_RNA)
where:
Base-Base interactions energy: -556.928
where: short stacking energy: -235.317
Base-Backbone interact. energy: -1.444
local terms energy: -262.751306
where:
bonds (distance) C4'-P energy: -50.860
bonds (distance) P-C4' energy: -50.400
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -35.215
tors. eta vs tors. theta energy: -70.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -766.451470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.451470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.451470 (E_RNA)
where:
Base-Base interactions energy: -520.500
where: short stacking energy: -219.522
Base-Backbone interact. energy: -0.619
local terms energy: -245.332883
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -66.795
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: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -756.340983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.340983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.340983 (E_RNA)
where:
Base-Base interactions energy: -507.787
where: short stacking energy: -214.455
Base-Backbone interact. energy: -0.628
local terms energy: -247.925689
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -49.084
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -70.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -604.426157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.426157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.426157 (E_RNA)
where:
Base-Base interactions energy: -403.443
where: short stacking energy: -175.464
Base-Backbone interact. energy: -0.940
local terms energy: -200.042625
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -46.812
flat angles C4'-P-C4' energy: -47.436
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -476.291120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.291120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.291120 (E_RNA)
where:
Base-Base interactions energy: -304.974
where: short stacking energy: -144.303
Base-Backbone interact. energy: 0.561
local terms energy: -171.878230
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -27.790
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: 283
Temperature: 1.350000
Total energy: -290.063108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.063108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.063108 (E_RNA)
where:
Base-Base interactions energy: -133.106
where: short stacking energy: -90.188
Base-Backbone interact. energy: -0.948
local terms energy: -156.009685
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -13.807
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: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -967.611085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.611085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.611085 (E_RNA)
where:
Base-Base interactions energy: -671.701
where: short stacking energy: -286.199
Base-Backbone interact. energy: 0.392
local terms energy: -296.301802
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -54.208
flat angles C4'-P-C4' energy: -59.378
flat angles P-C4'-P energy: -40.406
tors. eta vs tors. theta energy: -88.237
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: 284
Temperature: 0.950000
Total energy: -947.220488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.220488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.220488 (E_RNA)
where:
Base-Base interactions energy: -656.952
where: short stacking energy: -285.673
Base-Backbone interact. energy: -1.715
local terms energy: -288.554098
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -58.321
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -91.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -899.431219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.431219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.431219 (E_RNA)
where:
Base-Base interactions energy: -625.692
where: short stacking energy: -247.977
Base-Backbone interact. energy: -1.980
local terms energy: -271.759294
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -54.438
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -73.221
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: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -870.645699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.645699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.645699 (E_RNA)
where:
Base-Base interactions energy: -579.821
where: short stacking energy: -274.537
Base-Backbone interact. energy: -0.984
local terms energy: -289.839923
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -50.967
flat angles C4'-P-C4' energy: -63.460
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -84.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -847.380493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.380493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.380493 (E_RNA)
where:
Base-Base interactions energy: -584.341
where: short stacking energy: -266.944
Base-Backbone interact. energy: -0.119
local terms energy: -262.920084
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -39.747
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -48.187
tors. eta vs tors. theta energy: -81.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -761.404900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.404900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.404900 (E_RNA)
where:
Base-Base interactions energy: -517.311
where: short stacking energy: -216.165
Base-Backbone interact. energy: -0.836
local terms energy: -243.257971
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -43.560
flat angles C4'-P-C4' energy: -54.184
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -58.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -749.177117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.177117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.177117 (E_RNA)
where:
Base-Base interactions energy: -503.641
where: short stacking energy: -213.180
Base-Backbone interact. energy: -1.312
local terms energy: -244.224300
where:
bonds (distance) C4'-P energy: -53.328
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -58.271
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: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -624.418670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.418670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.418670 (E_RNA)
where:
Base-Base interactions energy: -419.632
where: short stacking energy: -190.570
Base-Backbone interact. energy: 1.552
local terms energy: -206.338223
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -45.045
flat angles P-C4'-P energy: -34.792
tors. eta vs tors. theta energy: -45.671
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -481.081047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.081047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.081047 (E_RNA)
where:
Base-Base interactions energy: -304.518
where: short stacking energy: -148.636
Base-Backbone interact. energy: 0.332
local terms energy: -176.895210
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -39.894
flat angles P-C4'-P energy: -25.734
tors. eta vs tors. theta energy: -27.977
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: -284.990196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.990196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.990196 (E_RNA)
where:
Base-Base interactions energy: -131.237
where: short stacking energy: -66.253
Base-Backbone interact. energy: -1.913
local terms energy: -151.839246
where:
bonds (distance) C4'-P energy: -49.389
bonds (distance) P-C4' energy: -48.642
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: 6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -972.261904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.261904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.261904 (E_RNA)
where:
Base-Base interactions energy: -672.790
where: short stacking energy: -291.161
Base-Backbone interact. energy: -1.885
local terms energy: -297.587081
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -57.861
flat angles C4'-P-C4' energy: -60.544
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -90.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -943.780923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.780923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.780923 (E_RNA)
where:
Base-Base interactions energy: -653.362
where: short stacking energy: -277.673
Base-Backbone interact. energy: -0.846
local terms energy: -289.573787
where:
bonds (distance) C4'-P energy: -57.561
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: -83.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -907.785124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.785124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.785124 (E_RNA)
where:
Base-Base interactions energy: -637.488
where: short stacking energy: -270.249
Base-Backbone interact. energy: -0.228
local terms energy: -270.069023
where:
bonds (distance) C4'-P energy: -49.216
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -69.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -850.955802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.955802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.955802 (E_RNA)
where:
Base-Base interactions energy: -580.134
where: short stacking energy: -248.844
Base-Backbone interact. energy: -1.058
local terms energy: -269.763490
where:
bonds (distance) C4'-P energy: -44.475
bonds (distance) P-C4' energy: -50.223
flat angles C4'-P-C4' energy: -53.740
flat angles P-C4'-P energy: -42.612
tors. eta vs tors. theta energy: -78.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -812.956070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.956070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.956070 (E_RNA)
where:
Base-Base interactions energy: -545.194
where: short stacking energy: -240.323
Base-Backbone interact. energy: -1.029
local terms energy: -266.732684
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -59.623
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -68.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -746.100753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.100753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.100753 (E_RNA)
where:
Base-Base interactions energy: -512.322
where: short stacking energy: -214.061
Base-Backbone interact. energy: -1.142
local terms energy: -232.637167
where:
bonds (distance) C4'-P energy: -38.193
bonds (distance) P-C4' energy: -51.610
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -56.173
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: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -725.506688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.506688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.506688 (E_RNA)
where:
Base-Base interactions energy: -499.829
where: short stacking energy: -209.477
Base-Backbone interact. energy: -0.749
local terms energy: -224.928158
where:
bonds (distance) C4'-P energy: -47.792
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -58.153
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -58.455
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: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -609.543303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.543303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.543303 (E_RNA)
where:
Base-Base interactions energy: -420.411
where: short stacking energy: -175.523
Base-Backbone interact. energy: 1.446
local terms energy: -190.578143
where:
bonds (distance) C4'-P energy: -31.616
bonds (distance) P-C4' energy: -37.905
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -31.006
tors. eta vs tors. theta energy: -37.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -460.466960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.466960 (E_RNA)
where:
Base-Base interactions energy: -299.045
where: short stacking energy: -126.787
Base-Backbone interact. energy: 3.639
local terms energy: -165.061651
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -26.362
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: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -276.110236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.110236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.110236 (E_RNA)
where:
Base-Base interactions energy: -130.260
where: short stacking energy: -79.075
Base-Backbone interact. energy: -0.653
local terms energy: -145.197549
where:
bonds (distance) C4'-P energy: -40.907
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: 3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -972.243705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.243705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.243705 (E_RNA)
where:
Base-Base interactions energy: -664.902
where: short stacking energy: -281.236
Base-Backbone interact. energy: -2.055
local terms energy: -305.286295
where:
bonds (distance) C4'-P energy: -54.860
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -67.100
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -90.371
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: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -964.711475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.711475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.711475 (E_RNA)
where:
Base-Base interactions energy: -661.985
where: short stacking energy: -295.573
Base-Backbone interact. energy: -0.586
local terms energy: -302.140063
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -57.434
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -86.044
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: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -890.160521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.160521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.160521 (E_RNA)
where:
Base-Base interactions energy: -631.848
where: short stacking energy: -264.326
Base-Backbone interact. energy: -0.966
local terms energy: -257.346714
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -52.032
flat angles C4'-P-C4' energy: -54.228
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: -70.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -846.959337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.959337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.959337 (E_RNA)
where:
Base-Base interactions energy: -591.544
where: short stacking energy: -269.708
Base-Backbone interact. energy: -0.371
local terms energy: -255.044486
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -54.794
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -37.997
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: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -824.808312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.808312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.808312 (E_RNA)
where:
Base-Base interactions energy: -578.529
where: short stacking energy: -244.363
Base-Backbone interact. energy: 3.269
local terms energy: -249.547643
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -50.440
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -71.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -769.585921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.585921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.585921 (E_RNA)
where:
Base-Base interactions energy: -516.883
where: short stacking energy: -224.196
Base-Backbone interact. energy: -1.590
local terms energy: -251.112997
where:
bonds (distance) C4'-P energy: -45.200
bonds (distance) P-C4' energy: -52.496
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -39.592
tors. eta vs tors. theta energy: -65.283
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: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -749.522416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.522416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.522416 (E_RNA)
where:
Base-Base interactions energy: -498.510
where: short stacking energy: -207.142
Base-Backbone interact. energy: -1.801
local terms energy: -249.210721
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -58.365
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -60.894
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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -636.130753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.130753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.130753 (E_RNA)
where:
Base-Base interactions energy: -433.454
where: short stacking energy: -185.984
Base-Backbone interact. energy: -0.599
local terms energy: -202.077494
where:
bonds (distance) C4'-P energy: -36.299
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -45.228
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -41.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -480.795743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.795743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.795743 (E_RNA)
where:
Base-Base interactions energy: -291.714
where: short stacking energy: -145.360
Base-Backbone interact. energy: -0.015
local terms energy: -189.066871
where:
bonds (distance) C4'-P energy: -41.249
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -41.190
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -33.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -285.487104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.487104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.487104 (E_RNA)
where:
Base-Base interactions energy: -143.938
where: short stacking energy: -102.362
Base-Backbone interact. energy: -0.697
local terms energy: -140.851838
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -47.378
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -957.307675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.307675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.307675 (E_RNA)
where:
Base-Base interactions energy: -656.817
where: short stacking energy: -280.884
Base-Backbone interact. energy: -0.716
local terms energy: -299.775081
where:
bonds (distance) C4'-P energy: -55.242
bonds (distance) P-C4' energy: -57.286
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -43.217
tors. eta vs tors. theta energy: -88.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -946.396145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.396145 (E_RNA)
where:
Base-Base interactions energy: -655.211
where: short stacking energy: -296.710
Base-Backbone interact. energy: -1.443
local terms energy: -289.742574
where:
bonds (distance) C4'-P energy: -54.658
bonds (distance) P-C4' energy: -48.245
flat angles C4'-P-C4' energy: -59.933
flat angles P-C4'-P energy: -37.790
tors. eta vs tors. theta energy: -89.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -898.172821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.172821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.172821 (E_RNA)
where:
Base-Base interactions energy: -621.294
where: short stacking energy: -254.262
Base-Backbone interact. energy: -0.983
local terms energy: -275.895999
where:
bonds (distance) C4'-P energy: -60.070
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -72.152
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: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -867.372082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.372082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.372082 (E_RNA)
where:
Base-Base interactions energy: -570.333
where: short stacking energy: -249.962
Base-Backbone interact. energy: -0.861
local terms energy: -296.178352
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -59.282
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -78.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -810.936077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.936077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.936077 (E_RNA)
where:
Base-Base interactions energy: -567.067
where: short stacking energy: -250.614
Base-Backbone interact. energy: -0.926
local terms energy: -242.942655
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -35.348
tors. eta vs tors. theta energy: -66.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -778.327004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.327004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.327004 (E_RNA)
where:
Base-Base interactions energy: -524.777
where: short stacking energy: -220.330
Base-Backbone interact. energy: -0.777
local terms energy: -252.773574
where:
bonds (distance) C4'-P energy: -52.023
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -65.788
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: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -727.775543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.775543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.775543 (E_RNA)
where:
Base-Base interactions energy: -487.556
where: short stacking energy: -203.328
Base-Backbone interact. energy: 1.345
local terms energy: -241.564583
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -53.399
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -59.165
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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -620.796900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.796900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.796900 (E_RNA)
where:
Base-Base interactions energy: -423.606
where: short stacking energy: -169.302
Base-Backbone interact. energy: -0.439
local terms energy: -196.751922
where:
bonds (distance) C4'-P energy: -48.602
bonds (distance) P-C4' energy: -43.242
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -502.787172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.787172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.787172 (E_RNA)
where:
Base-Base interactions energy: -311.565
where: short stacking energy: -161.858
Base-Backbone interact. energy: 3.191
local terms energy: -194.413469
where:
bonds (distance) C4'-P energy: -43.360
bonds (distance) P-C4' energy: -50.382
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -32.563
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: 287
Temperature: 1.350000
Total energy: -289.682061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.682061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.682061 (E_RNA)
where:
Base-Base interactions energy: -140.253
where: short stacking energy: -101.653
Base-Backbone interact. energy: 0.355
local terms energy: -149.784548
where:
bonds (distance) C4'-P energy: -41.935
bonds (distance) P-C4' energy: -39.465
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -10.082
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: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -952.915566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.915566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.915566 (E_RNA)
where:
Base-Base interactions energy: -663.863
where: short stacking energy: -280.596
Base-Backbone interact. energy: -0.644
local terms energy: -288.408684
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -37.739
tors. eta vs tors. theta energy: -86.513
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: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -931.264248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.264248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.264248 (E_RNA)
where:
Base-Base interactions energy: -641.059
where: short stacking energy: -283.467
Base-Backbone interact. energy: -0.794
local terms energy: -289.411630
where:
bonds (distance) C4'-P energy: -50.458
bonds (distance) P-C4' energy: -51.759
flat angles C4'-P-C4' energy: -63.197
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -87.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -913.692405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.692405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.692405 (E_RNA)
where:
Base-Base interactions energy: -638.729
where: short stacking energy: -264.476
Base-Backbone interact. energy: 2.328
local terms energy: -277.291325
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -56.620
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -74.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -863.124268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.124268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.124268 (E_RNA)
where:
Base-Base interactions energy: -582.193
where: short stacking energy: -256.699
Base-Backbone interact. energy: -1.441
local terms energy: -279.489942
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -58.781
flat angles C4'-P-C4' energy: -57.636
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -76.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -805.733764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.733764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.733764 (E_RNA)
where:
Base-Base interactions energy: -554.006
where: short stacking energy: -232.638
Base-Backbone interact. energy: -0.533
local terms energy: -251.194838
where:
bonds (distance) C4'-P energy: -45.795
bonds (distance) P-C4' energy: -46.611
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -64.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -780.384395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.384395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.384395 (E_RNA)
where:
Base-Base interactions energy: -537.649
where: short stacking energy: -222.960
Base-Backbone interact. energy: 0.375
local terms energy: -243.110072
where:
bonds (distance) C4'-P energy: -52.376
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -66.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -730.729675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.729675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.729675 (E_RNA)
where:
Base-Base interactions energy: -498.390
where: short stacking energy: -218.641
Base-Backbone interact. energy: -0.855
local terms energy: -231.484462
where:
bonds (distance) C4'-P energy: -48.251
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -64.853
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: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -645.255616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.255616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.255616 (E_RNA)
where:
Base-Base interactions energy: -438.150
where: short stacking energy: -177.405
Base-Backbone interact. energy: -0.499
local terms energy: -206.606631
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -34.802
flat angles C4'-P-C4' energy: -48.379
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: -46.796
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: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -480.719789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.719789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.719789 (E_RNA)
where:
Base-Base interactions energy: -286.941
where: short stacking energy: -135.255
Base-Backbone interact. energy: -1.360
local terms energy: -192.418861
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -59.860
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -273.666456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.666456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.666456 (E_RNA)
where:
Base-Base interactions energy: -127.007
where: short stacking energy: -84.692
Base-Backbone interact. energy: -0.019
local terms energy: -146.640712
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: 2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -977.974224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.974224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.974224 (E_RNA)
where:
Base-Base interactions energy: -680.111
where: short stacking energy: -301.329
Base-Backbone interact. energy: -1.665
local terms energy: -296.197389
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -56.933
flat angles C4'-P-C4' energy: -59.538
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -89.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -912.653267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.653267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.653267 (E_RNA)
where:
Base-Base interactions energy: -623.719
where: short stacking energy: -253.240
Base-Backbone interact. energy: 1.863
local terms energy: -290.796742
where:
bonds (distance) C4'-P energy: -55.123
bonds (distance) P-C4' energy: -57.139
flat angles C4'-P-C4' energy: -62.868
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: -80.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -895.189693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.189693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.189693 (E_RNA)
where:
Base-Base interactions energy: -629.289
where: short stacking energy: -258.770
Base-Backbone interact. energy: 1.443
local terms energy: -267.343346
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -60.651
flat angles C4'-P-C4' energy: -55.885
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: -68.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -852.698274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.698274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.698274 (E_RNA)
where:
Base-Base interactions energy: -574.410
where: short stacking energy: -252.923
Base-Backbone interact. energy: -1.079
local terms energy: -277.208879
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -72.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -816.094996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.094996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.094996 (E_RNA)
where:
Base-Base interactions energy: -560.310
where: short stacking energy: -241.977
Base-Backbone interact. energy: -1.278
local terms energy: -254.506690
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -54.210
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -67.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -752.811404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.811404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.811404 (E_RNA)
where:
Base-Base interactions energy: -500.159
where: short stacking energy: -221.720
Base-Backbone interact. energy: -1.129
local terms energy: -251.523657
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -51.327
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: -64.932
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: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -766.294911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.294911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.294911 (E_RNA)
where:
Base-Base interactions energy: -517.789
where: short stacking energy: -210.098
Base-Backbone interact. energy: -0.430
local terms energy: -248.076338
where:
bonds (distance) C4'-P energy: -41.948
bonds (distance) P-C4' energy: -49.233
flat angles C4'-P-C4' energy: -51.370
flat angles P-C4'-P energy: -43.252
tors. eta vs tors. theta energy: -62.272
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: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -638.247235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.247235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.247235 (E_RNA)
where:
Base-Base interactions energy: -429.344
where: short stacking energy: -180.491
Base-Backbone interact. energy: -0.072
local terms energy: -208.831122
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -44.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -492.183915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.183915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.183915 (E_RNA)
where:
Base-Base interactions energy: -304.305
where: short stacking energy: -143.537
Base-Backbone interact. energy: 0.100
local terms energy: -187.979046
where:
bonds (distance) C4'-P energy: -43.220
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -34.639
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -30.667
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: 289
Temperature: 1.350000
Total energy: -224.736412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.736412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736412 (E_RNA)
where:
Base-Base interactions energy: -70.423
where: short stacking energy: -65.234
Base-Backbone interact. energy: 0.759
local terms energy: -155.072243
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -37.233
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -942.543432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.543432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.543432 (E_RNA)
where:
Base-Base interactions energy: -643.232
where: short stacking energy: -254.326
Base-Backbone interact. energy: -0.702
local terms energy: -298.608619
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -52.893
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -44.219
tors. eta vs tors. theta energy: -80.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -962.075658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.075658 (E_RNA)
where:
Base-Base interactions energy: -666.934
where: short stacking energy: -295.768
Base-Backbone interact. energy: -0.738
local terms energy: -294.403867
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -55.037
flat angles C4'-P-C4' energy: -62.641
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -90.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -890.232939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.232939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.232939 (E_RNA)
where:
Base-Base interactions energy: -615.351
where: short stacking energy: -250.768
Base-Backbone interact. energy: -0.638
local terms energy: -274.243493
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -59.157
flat angles C4'-P-C4' energy: -62.285
flat angles P-C4'-P energy: -38.978
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: 290
Temperature: 1.050000
Total energy: -840.737554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.737554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.737554 (E_RNA)
where:
Base-Base interactions energy: -575.916
where: short stacking energy: -242.777
Base-Backbone interact. energy: 0.538
local terms energy: -265.359654
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -49.180
flat angles C4'-P-C4' energy: -58.930
flat angles P-C4'-P energy: -44.763
tors. eta vs tors. theta energy: -69.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -814.259876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.259876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.259876 (E_RNA)
where:
Base-Base interactions energy: -552.482
where: short stacking energy: -243.121
Base-Backbone interact. energy: -0.276
local terms energy: -261.501600
where:
bonds (distance) C4'-P energy: -53.713
bonds (distance) P-C4' energy: -57.600
flat angles C4'-P-C4' energy: -53.508
flat angles P-C4'-P energy: -30.723
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: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -750.794843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.794843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.794843 (E_RNA)
where:
Base-Base interactions energy: -521.703
where: short stacking energy: -208.446
Base-Backbone interact. energy: -2.160
local terms energy: -226.932219
where:
bonds (distance) C4'-P energy: -52.052
bonds (distance) P-C4' energy: -44.752
flat angles C4'-P-C4' energy: -53.857
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -51.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -745.181081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.181081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.181081 (E_RNA)
where:
Base-Base interactions energy: -525.416
where: short stacking energy: -222.118
Base-Backbone interact. energy: -1.157
local terms energy: -218.607793
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -52.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -607.547535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.547535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.547535 (E_RNA)
where:
Base-Base interactions energy: -392.432
where: short stacking energy: -165.985
Base-Backbone interact. energy: -1.122
local terms energy: -213.993826
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -40.979
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -35.098
tors. eta vs tors. theta energy: -38.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -492.950655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.950655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.950655 (E_RNA)
where:
Base-Base interactions energy: -301.391
where: short stacking energy: -151.015
Base-Backbone interact. energy: -0.271
local terms energy: -191.288815
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -44.451
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -248.987759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.987759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.987759 (E_RNA)
where:
Base-Base interactions energy: -88.723
where: short stacking energy: -61.209
Base-Backbone interact. energy: -0.168
local terms energy: -160.096116
where:
bonds (distance) C4'-P energy: -39.575
bonds (distance) P-C4' energy: -48.312
flat angles C4'-P-C4' energy: -45.026
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: 9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -953.501200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.501200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.501200 (E_RNA)
where:
Base-Base interactions energy: -676.220
where: short stacking energy: -271.177
Base-Backbone interact. energy: -2.205
local terms energy: -275.076514
where:
bonds (distance) C4'-P energy: -46.472
bonds (distance) P-C4' energy: -51.540
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -38.642
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: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -952.265334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.265334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.265334 (E_RNA)
where:
Base-Base interactions energy: -657.052
where: short stacking energy: -287.802
Base-Backbone interact. energy: -0.837
local terms energy: -294.377157
where:
bonds (distance) C4'-P energy: -57.682
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -88.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -914.503255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.503255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.503255 (E_RNA)
where:
Base-Base interactions energy: -642.491
where: short stacking energy: -253.605
Base-Backbone interact. energy: 0.406
local terms energy: -272.418215
where:
bonds (distance) C4'-P energy: -57.577
bonds (distance) P-C4' energy: -51.742
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -30.712
tors. eta vs tors. theta energy: -72.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -842.720439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.720439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.720439 (E_RNA)
where:
Base-Base interactions energy: -561.453
where: short stacking energy: -262.563
Base-Backbone interact. energy: -0.224
local terms energy: -281.043651
where:
bonds (distance) C4'-P energy: -54.841
bonds (distance) P-C4' energy: -54.689
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -39.547
tors. eta vs tors. theta energy: -74.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -829.705529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.705529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.705529 (E_RNA)
where:
Base-Base interactions energy: -568.700
where: short stacking energy: -251.410
Base-Backbone interact. energy: -0.182
local terms energy: -260.823639
where:
bonds (distance) C4'-P energy: -50.170
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -51.535
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -71.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -743.600558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.600558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.600558 (E_RNA)
where:
Base-Base interactions energy: -514.012
where: short stacking energy: -203.842
Base-Backbone interact. energy: -0.940
local terms energy: -228.648156
where:
bonds (distance) C4'-P energy: -41.767
bonds (distance) P-C4' energy: -53.662
flat angles C4'-P-C4' energy: -44.198
flat angles P-C4'-P energy: -29.415
tors. eta vs tors. theta energy: -59.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -718.563257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.563257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.563257 (E_RNA)
where:
Base-Base interactions energy: -496.704
where: short stacking energy: -204.798
Base-Backbone interact. energy: -0.562
local terms energy: -221.296873
where:
bonds (distance) C4'-P energy: -45.271
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -51.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -634.673739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.673739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.673739 (E_RNA)
where:
Base-Base interactions energy: -428.955
where: short stacking energy: -168.305
Base-Backbone interact. energy: 0.802
local terms energy: -206.520769
where:
bonds (distance) C4'-P energy: -43.173
bonds (distance) P-C4' energy: -49.268
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -32.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -499.191271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.191271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.191271 (E_RNA)
where:
Base-Base interactions energy: -327.548
where: short stacking energy: -139.382
Base-Backbone interact. energy: 0.933
local terms energy: -172.576321
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -50.174
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -231.847851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.847851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.847851 (E_RNA)
where:
Base-Base interactions energy: -95.162
where: short stacking energy: -61.027
Base-Backbone interact. energy: -1.914
local terms energy: -134.772272
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -50.017
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -26.660
tors. eta vs tors. theta energy: 11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -978.902198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.902198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.902198 (E_RNA)
where:
Base-Base interactions energy: -673.645
where: short stacking energy: -295.548
Base-Backbone interact. energy: -1.664
local terms energy: -303.593049
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -63.209
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -90.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -949.756853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.756853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.756853 (E_RNA)
where:
Base-Base interactions energy: -658.642
where: short stacking energy: -272.455
Base-Backbone interact. energy: 0.050
local terms energy: -291.164497
where:
bonds (distance) C4'-P energy: -48.773
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -64.662
flat angles P-C4'-P energy: -44.533
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: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -876.353312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.353312 (E_RNA)
where:
Base-Base interactions energy: -610.520
where: short stacking energy: -271.127
Base-Backbone interact. energy: 3.100
local terms energy: -268.933044
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -63.944
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -73.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -878.901234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.901234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.901234 (E_RNA)
where:
Base-Base interactions energy: -621.175
where: short stacking energy: -251.698
Base-Backbone interact. energy: 2.451
local terms energy: -260.177742
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -50.924
flat angles P-C4'-P energy: -36.490
tors. eta vs tors. theta energy: -71.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -834.912685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.912685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.912685 (E_RNA)
where:
Base-Base interactions energy: -574.330
where: short stacking energy: -258.588
Base-Backbone interact. energy: -0.599
local terms energy: -259.983848
where:
bonds (distance) C4'-P energy: -47.335
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -52.154
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -73.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -830.056114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.056114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.056114 (E_RNA)
where:
Base-Base interactions energy: -575.846
where: short stacking energy: -238.811
Base-Backbone interact. energy: -0.162
local terms energy: -254.048198
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -52.761
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -67.058
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: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -734.800379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.800379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.800379 (E_RNA)
where:
Base-Base interactions energy: -506.672
where: short stacking energy: -218.409
Base-Backbone interact. energy: -1.641
local terms energy: -226.488131
where:
bonds (distance) C4'-P energy: -46.368
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -50.803
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -58.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -619.571145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.571145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.571145 (E_RNA)
where:
Base-Base interactions energy: -414.475
where: short stacking energy: -179.876
Base-Backbone interact. energy: -0.991
local terms energy: -204.104471
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -44.878
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -26.604
tors. eta vs tors. theta energy: -43.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -484.702906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.702906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.702906 (E_RNA)
where:
Base-Base interactions energy: -320.529
where: short stacking energy: -141.580
Base-Backbone interact. energy: 1.803
local terms energy: -165.977289
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -48.545
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -246.499286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.499286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.499286 (E_RNA)
where:
Base-Base interactions energy: -93.567
where: short stacking energy: -74.455
Base-Backbone interact. energy: -2.059
local terms energy: -150.873660
where:
bonds (distance) C4'-P energy: -51.631
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: 2.967
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: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -991.971145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.971145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.971145 (E_RNA)
where:
Base-Base interactions energy: -692.340
where: short stacking energy: -307.605
Base-Backbone interact. energy: -0.325
local terms energy: -299.305725
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -60.025
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -89.285
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: 293
Temperature: 0.950000
Total energy: -947.575253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.575253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.575253 (E_RNA)
where:
Base-Base interactions energy: -660.454
where: short stacking energy: -272.487
Base-Backbone interact. energy: -0.592
local terms energy: -286.529505
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -60.035
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -88.807
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: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -860.719588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.719588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.719588 (E_RNA)
where:
Base-Base interactions energy: -575.309
where: short stacking energy: -238.780
Base-Backbone interact. energy: -0.760
local terms energy: -284.651250
where:
bonds (distance) C4'-P energy: -59.691
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -60.206
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -64.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -840.525731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.525731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.525731 (E_RNA)
where:
Base-Base interactions energy: -583.466
where: short stacking energy: -258.478
Base-Backbone interact. energy: -0.043
local terms energy: -257.016919
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -44.126
flat angles C4'-P-C4' energy: -59.350
flat angles P-C4'-P energy: -33.617
tors. eta vs tors. theta energy: -68.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -843.531222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.531222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.531222 (E_RNA)
where:
Base-Base interactions energy: -582.727
where: short stacking energy: -226.677
Base-Backbone interact. energy: -0.751
local terms energy: -260.052942
where:
bonds (distance) C4'-P energy: -44.827
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -45.223
tors. eta vs tors. theta energy: -62.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -825.652650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.652650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.652650 (E_RNA)
where:
Base-Base interactions energy: -578.220
where: short stacking energy: -246.619
Base-Backbone interact. energy: -2.357
local terms energy: -245.075579
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -35.266
tors. eta vs tors. theta energy: -73.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -744.522134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.522134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.522134 (E_RNA)
where:
Base-Base interactions energy: -517.264
where: short stacking energy: -207.966
Base-Backbone interact. energy: 0.803
local terms energy: -228.060832
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -55.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -647.638856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.638856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.638856 (E_RNA)
where:
Base-Base interactions energy: -427.084
where: short stacking energy: -167.436
Base-Backbone interact. energy: -1.234
local terms energy: -219.320593
where:
bonds (distance) C4'-P energy: -43.932
bonds (distance) P-C4' energy: -60.443
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -40.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -485.975238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.975238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.975238 (E_RNA)
where:
Base-Base interactions energy: -303.514
where: short stacking energy: -141.572
Base-Backbone interact. energy: -0.711
local terms energy: -181.749956
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -25.123
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: 293
Temperature: 1.350000
Total energy: -285.650934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.650934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.650934 (E_RNA)
where:
Base-Base interactions energy: -153.581
where: short stacking energy: -101.334
Base-Backbone interact. energy: -0.521
local terms energy: -131.548343
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -971.417732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.417732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.417732 (E_RNA)
where:
Base-Base interactions energy: -675.697
where: short stacking energy: -286.440
Base-Backbone interact. energy: 0.328
local terms energy: -296.048461
where:
bonds (distance) C4'-P energy: -49.318
bonds (distance) P-C4' energy: -56.233
flat angles C4'-P-C4' energy: -62.973
flat angles P-C4'-P energy: -42.487
tors. eta vs tors. theta energy: -85.037
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -936.073770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.073770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.073770 (E_RNA)
where:
Base-Base interactions energy: -645.567
where: short stacking energy: -265.872
Base-Backbone interact. energy: -0.637
local terms energy: -289.869446
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -63.553
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -80.733
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -888.811938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.811938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.811938 (E_RNA)
where:
Base-Base interactions energy: -621.711
where: short stacking energy: -276.109
Base-Backbone interact. energy: 1.260
local terms energy: -268.360628
where:
bonds (distance) C4'-P energy: -51.944
bonds (distance) P-C4' energy: -41.101
flat angles C4'-P-C4' energy: -54.018
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -78.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -847.528519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.528519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.528519 (E_RNA)
where:
Base-Base interactions energy: -589.953
where: short stacking energy: -258.439
Base-Backbone interact. energy: 1.345
local terms energy: -258.920383
where:
bonds (distance) C4'-P energy: -45.678
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -70.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -835.738196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.738196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.738196 (E_RNA)
where:
Base-Base interactions energy: -574.312
where: short stacking energy: -244.568
Base-Backbone interact. energy: 1.121
local terms energy: -262.547320
where:
bonds (distance) C4'-P energy: -49.444
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -68.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -769.438160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.438160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.438160 (E_RNA)
where:
Base-Base interactions energy: -512.141
where: short stacking energy: -219.310
Base-Backbone interact. energy: -3.289
local terms energy: -254.007423
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -50.208
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -51.302
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: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -731.848143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.848143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.848143 (E_RNA)
where:
Base-Base interactions energy: -504.144
where: short stacking energy: -222.472
Base-Backbone interact. energy: 1.910
local terms energy: -229.614281
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -61.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -606.979011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.979011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.979011 (E_RNA)
where:
Base-Base interactions energy: -408.098
where: short stacking energy: -165.081
Base-Backbone interact. energy: -1.461
local terms energy: -197.419559
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -35.005
flat angles P-C4'-P energy: -29.263
tors. eta vs tors. theta energy: -37.580
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: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -499.260119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.260119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.260119 (E_RNA)
where:
Base-Base interactions energy: -307.944
where: short stacking energy: -145.451
Base-Backbone interact. energy: -0.462
local terms energy: -190.854152
where:
bonds (distance) C4'-P energy: -47.887
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -30.402
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: 294
Temperature: 1.350000
Total energy: -290.578014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.578014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.578014 (E_RNA)
where:
Base-Base interactions energy: -134.379
where: short stacking energy: -80.134
Base-Backbone interact. energy: -0.309
local terms energy: -155.890757
where:
bonds (distance) C4'-P energy: -43.473
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -965.194297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.194297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.194297 (E_RNA)
where:
Base-Base interactions energy: -669.444
where: short stacking energy: -297.201
Base-Backbone interact. energy: -1.593
local terms energy: -294.157775
where:
bonds (distance) C4'-P energy: -52.884
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -62.084
flat angles P-C4'-P energy: -39.862
tors. eta vs tors. theta energy: -83.263
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: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -946.400693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.400693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.400693 (E_RNA)
where:
Base-Base interactions energy: -653.483
where: short stacking energy: -275.215
Base-Backbone interact. energy: -0.036
local terms energy: -292.881933
where:
bonds (distance) C4'-P energy: -50.446
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -64.823
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -88.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -869.105002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.105002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.105002 (E_RNA)
where:
Base-Base interactions energy: -603.433
where: short stacking energy: -273.281
Base-Backbone interact. energy: -1.981
local terms energy: -263.690554
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -49.656
flat angles C4'-P-C4' energy: -58.673
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -79.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -829.811103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.811103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.811103 (E_RNA)
where:
Base-Base interactions energy: -562.460
where: short stacking energy: -247.170
Base-Backbone interact. energy: 0.635
local terms energy: -267.985514
where:
bonds (distance) C4'-P energy: -47.966
bonds (distance) P-C4' energy: -47.353
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -47.654
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -819.630859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.630859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.630859 (E_RNA)
where:
Base-Base interactions energy: -558.311
where: short stacking energy: -240.354
Base-Backbone interact. energy: -2.067
local terms energy: -259.253393
where:
bonds (distance) C4'-P energy: -48.781
bonds (distance) P-C4' energy: -42.347
flat angles C4'-P-C4' energy: -54.048
flat angles P-C4'-P energy: -45.804
tors. eta vs tors. theta energy: -68.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -743.965458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.965458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.965458 (E_RNA)
where:
Base-Base interactions energy: -522.894
where: short stacking energy: -222.833
Base-Backbone interact. energy: -0.163
local terms energy: -220.909197
where:
bonds (distance) C4'-P energy: -38.387
bonds (distance) P-C4' energy: -42.141
flat angles C4'-P-C4' energy: -47.049
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -63.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -760.813019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.813019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.813019 (E_RNA)
where:
Base-Base interactions energy: -532.701
where: short stacking energy: -228.041
Base-Backbone interact. energy: -0.137
local terms energy: -227.975431
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -54.931
flat angles C4'-P-C4' energy: -47.558
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -57.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -612.757853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.757853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.757853 (E_RNA)
where:
Base-Base interactions energy: -413.992
where: short stacking energy: -176.011
Base-Backbone interact. energy: 1.697
local terms energy: -200.462838
where:
bonds (distance) C4'-P energy: -52.774
bonds (distance) P-C4' energy: -48.110
flat angles C4'-P-C4' energy: -40.679
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -39.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -511.754358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.754358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.754358 (E_RNA)
where:
Base-Base interactions energy: -334.943
where: short stacking energy: -170.106
Base-Backbone interact. energy: -1.516
local terms energy: -175.295773
where:
bonds (distance) C4'-P energy: -37.733
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -32.208
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -32.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -235.622784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.622784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.622784 (E_RNA)
where:
Base-Base interactions energy: -86.303
where: short stacking energy: -73.167
Base-Backbone interact. energy: -0.628
local terms energy: -148.691427
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -33.147
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -7.367
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: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -942.244123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.244123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.244123 (E_RNA)
where:
Base-Base interactions energy: -647.828
where: short stacking energy: -279.200
Base-Backbone interact. energy: -2.209
local terms energy: -292.206385
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -52.468
flat angles C4'-P-C4' energy: -62.240
flat angles P-C4'-P energy: -43.842
tors. eta vs tors. theta energy: -84.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -952.522765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.522765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.522765 (E_RNA)
where:
Base-Base interactions energy: -652.577
where: short stacking energy: -285.919
Base-Backbone interact. energy: 1.244
local terms energy: -301.189410
where:
bonds (distance) C4'-P energy: -49.660
bonds (distance) P-C4' energy: -55.979
flat angles C4'-P-C4' energy: -61.903
flat angles P-C4'-P energy: -43.611
tors. eta vs tors. theta energy: -90.037
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: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -876.746827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.746827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.746827 (E_RNA)
where:
Base-Base interactions energy: -592.085
where: short stacking energy: -263.268
Base-Backbone interact. energy: -0.064
local terms energy: -284.597946
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -44.864
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -78.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -851.243250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.243250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.243250 (E_RNA)
where:
Base-Base interactions energy: -573.726
where: short stacking energy: -249.729
Base-Backbone interact. energy: -0.312
local terms energy: -277.205014
where:
bonds (distance) C4'-P energy: -54.988
bonds (distance) P-C4' energy: -56.226
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -71.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -796.405349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.405349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.405349 (E_RNA)
where:
Base-Base interactions energy: -532.740
where: short stacking energy: -225.546
Base-Backbone interact. energy: -0.862
local terms energy: -262.803712
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -60.584
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -759.025926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.025926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.025926 (E_RNA)
where:
Base-Base interactions energy: -520.000
where: short stacking energy: -211.898
Base-Backbone interact. energy: 0.500
local terms energy: -239.525993
where:
bonds (distance) C4'-P energy: -43.475
bonds (distance) P-C4' energy: -52.989
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -59.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -782.121590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.121590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.121590 (E_RNA)
where:
Base-Base interactions energy: -549.268
where: short stacking energy: -220.125
Base-Backbone interact. energy: -1.020
local terms energy: -231.833960
where:
bonds (distance) C4'-P energy: -47.277
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -54.236
flat angles P-C4'-P energy: -29.171
tors. eta vs tors. theta energy: -62.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -635.889982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.889982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.889982 (E_RNA)
where:
Base-Base interactions energy: -430.455
where: short stacking energy: -167.095
Base-Backbone interact. energy: -1.495
local terms energy: -203.939607
where:
bonds (distance) C4'-P energy: -41.341
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -32.131
tors. eta vs tors. theta energy: -35.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -465.082602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.082602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.082602 (E_RNA)
where:
Base-Base interactions energy: -281.935
where: short stacking energy: -136.937
Base-Backbone interact. energy: 1.377
local terms energy: -184.524690
where:
bonds (distance) C4'-P energy: -44.461
bonds (distance) P-C4' energy: -49.112
flat angles C4'-P-C4' energy: -40.606
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -24.323
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: 296
Temperature: 1.350000
Total energy: -235.219833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.219833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.219833 (E_RNA)
where:
Base-Base interactions energy: -81.494
where: short stacking energy: -63.247
Base-Backbone interact. energy: 2.082
local terms energy: -155.808715
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -35.005
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: 6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -962.783280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.783280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.783280 (E_RNA)
where:
Base-Base interactions energy: -668.404
where: short stacking energy: -284.573
Base-Backbone interact. energy: 0.402
local terms energy: -294.780866
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -43.874
tors. eta vs tors. theta energy: -85.464
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: 297
Temperature: 0.950000
Total energy: -938.993805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.993805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.993805 (E_RNA)
where:
Base-Base interactions energy: -641.338
where: short stacking energy: -270.517
Base-Backbone interact. energy: -0.642
local terms energy: -297.014036
where:
bonds (distance) C4'-P energy: -51.882
bonds (distance) P-C4' energy: -59.571
flat angles C4'-P-C4' energy: -66.274
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -83.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -870.286632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.286632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.286632 (E_RNA)
where:
Base-Base interactions energy: -599.020
where: short stacking energy: -255.707
Base-Backbone interact. energy: 0.270
local terms energy: -271.536552
where:
bonds (distance) C4'-P energy: -44.435
bonds (distance) P-C4' energy: -48.730
flat angles C4'-P-C4' energy: -61.950
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -78.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -804.230278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.230278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.230278 (E_RNA)
where:
Base-Base interactions energy: -559.813
where: short stacking energy: -247.458
Base-Backbone interact. energy: -1.586
local terms energy: -242.831375
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -44.410
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -67.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -800.581104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.581104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.581104 (E_RNA)
where:
Base-Base interactions energy: -549.905
where: short stacking energy: -225.716
Base-Backbone interact. energy: -1.605
local terms energy: -249.071202
where:
bonds (distance) C4'-P energy: -40.669
bonds (distance) P-C4' energy: -52.067
flat angles C4'-P-C4' energy: -56.150
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -58.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -772.843992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.843992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.843992 (E_RNA)
where:
Base-Base interactions energy: -526.010
where: short stacking energy: -218.963
Base-Backbone interact. energy: -0.455
local terms energy: -246.379305
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -50.093
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -59.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -722.107580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.107580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.107580 (E_RNA)
where:
Base-Base interactions energy: -491.183
where: short stacking energy: -202.127
Base-Backbone interact. energy: -0.520
local terms energy: -230.404692
where:
bonds (distance) C4'-P energy: -40.019
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -53.619
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -49.492
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: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -616.810394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.810394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.810394 (E_RNA)
where:
Base-Base interactions energy: -424.562
where: short stacking energy: -179.407
Base-Backbone interact. energy: -0.779
local terms energy: -191.469248
where:
bonds (distance) C4'-P energy: -40.324
bonds (distance) P-C4' energy: -39.989
flat angles C4'-P-C4' energy: -43.847
flat angles P-C4'-P energy: -28.186
tors. eta vs tors. theta energy: -39.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -434.395253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.395253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.395253 (E_RNA)
where:
Base-Base interactions energy: -266.827
where: short stacking energy: -127.104
Base-Backbone interact. energy: -1.262
local terms energy: -166.306041
where:
bonds (distance) C4'-P energy: -49.758
bonds (distance) P-C4' energy: -38.683
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -18.979
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: 297
Temperature: 1.350000
Total energy: -227.851385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.851385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.851385 (E_RNA)
where:
Base-Base interactions energy: -78.203
where: short stacking energy: -72.932
Base-Backbone interact. energy: 5.091
local terms energy: -154.739240
where:
bonds (distance) C4'-P energy: -38.858
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -44.722
flat angles P-C4'-P energy: -16.901
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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -957.854033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.854033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.854033 (E_RNA)
where:
Base-Base interactions energy: -658.526
where: short stacking energy: -283.120
Base-Backbone interact. energy: 0.458
local terms energy: -299.786262
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -55.694
flat angles C4'-P-C4' energy: -58.604
flat angles P-C4'-P energy: -46.129
tors. eta vs tors. theta energy: -86.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -968.961364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.961364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.961364 (E_RNA)
where:
Base-Base interactions energy: -671.877
where: short stacking energy: -289.536
Base-Backbone interact. energy: 1.044
local terms energy: -298.128742
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -58.859
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -89.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -850.303936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.303936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.303936 (E_RNA)
where:
Base-Base interactions energy: -589.717
where: short stacking energy: -252.784
Base-Backbone interact. energy: -1.103
local terms energy: -259.483337
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -56.964
flat angles P-C4'-P energy: -33.441
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: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -826.104217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.104217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.104217 (E_RNA)
where:
Base-Base interactions energy: -559.241
where: short stacking energy: -224.076
Base-Backbone interact. energy: -0.748
local terms energy: -266.114984
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -68.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -811.939815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.939815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.939815 (E_RNA)
where:
Base-Base interactions energy: -556.295
where: short stacking energy: -237.768
Base-Backbone interact. energy: -0.256
local terms energy: -255.388496
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -31.189
tors. eta vs tors. theta energy: -70.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -760.562008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.562008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.562008 (E_RNA)
where:
Base-Base interactions energy: -519.336
where: short stacking energy: -218.449
Base-Backbone interact. energy: -2.312
local terms energy: -238.913900
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -45.229
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -54.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -726.758637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.758637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.758637 (E_RNA)
where:
Base-Base interactions energy: -502.647
where: short stacking energy: -209.427
Base-Backbone interact. energy: 2.691
local terms energy: -226.802322
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -45.017
flat angles C4'-P-C4' energy: -48.163
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -48.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -624.104925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.104925 (E_RNA)
where:
Base-Base interactions energy: -393.000
where: short stacking energy: -155.325
Base-Backbone interact. energy: 1.470
local terms energy: -232.574017
where:
bonds (distance) C4'-P energy: -58.246
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -54.983
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -30.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -421.418874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.418874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.418874 (E_RNA)
where:
Base-Base interactions energy: -246.799
where: short stacking energy: -139.558
Base-Backbone interact. energy: 0.256
local terms energy: -174.875778
where:
bonds (distance) C4'-P energy: -41.316
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -229.075401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.075401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.075401 (E_RNA)
where:
Base-Base interactions energy: -85.629
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.693
local terms energy: -142.753875
where:
bonds (distance) C4'-P energy: -42.951
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -3.226
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: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -971.163225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.163225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.163225 (E_RNA)
where:
Base-Base interactions energy: -675.562
where: short stacking energy: -280.450
Base-Backbone interact. energy: 0.569
local terms energy: -296.170297
where:
bonds (distance) C4'-P energy: -50.499
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -57.372
flat angles P-C4'-P energy: -45.020
tors. eta vs tors. theta energy: -86.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -950.649397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.649397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.649397 (E_RNA)
where:
Base-Base interactions energy: -666.336
where: short stacking energy: -275.049
Base-Backbone interact. energy: -0.598
local terms energy: -283.715029
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -55.353
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -89.777
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: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -872.295229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.295229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.295229 (E_RNA)
where:
Base-Base interactions energy: -597.947
where: short stacking energy: -263.049
Base-Backbone interact. energy: -0.958
local terms energy: -273.389394
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -53.427
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -77.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -818.810747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.810747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.810747 (E_RNA)
where:
Base-Base interactions energy: -548.582
where: short stacking energy: -230.961
Base-Backbone interact. energy: -0.423
local terms energy: -269.805458
where:
bonds (distance) C4'-P energy: -49.157
bonds (distance) P-C4' energy: -51.360
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -74.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -797.051034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.051034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.051034 (E_RNA)
where:
Base-Base interactions energy: -541.161
where: short stacking energy: -219.390
Base-Backbone interact. energy: 0.278
local terms energy: -256.167583
where:
bonds (distance) C4'-P energy: -41.322
bonds (distance) P-C4' energy: -53.033
flat angles C4'-P-C4' energy: -57.450
flat angles P-C4'-P energy: -41.751
tors. eta vs tors. theta energy: -62.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -787.971105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.971105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.971105 (E_RNA)
where:
Base-Base interactions energy: -538.852
where: short stacking energy: -215.353
Base-Backbone interact. energy: -1.264
local terms energy: -247.855446
where:
bonds (distance) C4'-P energy: -49.401
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -55.672
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -59.114
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: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -712.058630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.058630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.058630 (E_RNA)
where:
Base-Base interactions energy: -497.721
where: short stacking energy: -216.538
Base-Backbone interact. energy: -0.716
local terms energy: -213.621832
where:
bonds (distance) C4'-P energy: -44.580
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -47.039
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: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -613.317110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.317110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.317110 (E_RNA)
where:
Base-Base interactions energy: -411.231
where: short stacking energy: -174.151
Base-Backbone interact. energy: -0.887
local terms energy: -201.199160
where:
bonds (distance) C4'-P energy: -33.162
bonds (distance) P-C4' energy: -56.402
flat angles C4'-P-C4' energy: -43.768
flat angles P-C4'-P energy: -29.961
tors. eta vs tors. theta energy: -37.907
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: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -436.314185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.314185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.314185 (E_RNA)
where:
Base-Base interactions energy: -242.509
where: short stacking energy: -129.940
Base-Backbone interact. energy: -0.502
local terms energy: -193.302763
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -49.619
flat angles C4'-P-C4' energy: -48.717
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -226.971650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.971650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.971650 (E_RNA)
where:
Base-Base interactions energy: -93.978
where: short stacking energy: -85.284
Base-Backbone interact. energy: -0.414
local terms energy: -132.579852
where:
bonds (distance) C4'-P energy: -36.371
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: 10.727
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -960.998961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.998961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.998961 (E_RNA)
where:
Base-Base interactions energy: -660.655
where: short stacking energy: -277.660
Base-Backbone interact. energy: 2.167
local terms energy: -302.511472
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -49.426
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -83.806
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: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -952.820270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.820270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.820270 (E_RNA)
where:
Base-Base interactions energy: -658.250
where: short stacking energy: -282.976
Base-Backbone interact. energy: -2.119
local terms energy: -292.452037
where:
bonds (distance) C4'-P energy: -48.208
bonds (distance) P-C4' energy: -59.186
flat angles C4'-P-C4' energy: -55.407
flat angles P-C4'-P energy: -41.476
tors. eta vs tors. theta energy: -88.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -878.988967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.988967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.988967 (E_RNA)
where:
Base-Base interactions energy: -595.842
where: short stacking energy: -267.105
Base-Backbone interact. energy: -0.118
local terms energy: -283.029227
where:
bonds (distance) C4'-P energy: -53.919
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -43.326
tors. eta vs tors. theta energy: -81.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -830.285564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.285564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.285564 (E_RNA)
where:
Base-Base interactions energy: -557.438
where: short stacking energy: -237.602
Base-Backbone interact. energy: -0.469
local terms energy: -272.378286
where:
bonds (distance) C4'-P energy: -49.997
bonds (distance) P-C4' energy: -58.771
flat angles C4'-P-C4' energy: -52.300
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -71.478
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: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -809.449765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.449765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.449765 (E_RNA)
where:
Base-Base interactions energy: -554.650
where: short stacking energy: -237.352
Base-Backbone interact. energy: -0.273
local terms energy: -254.527333
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -47.490
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -71.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -766.904877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.904877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.904877 (E_RNA)
where:
Base-Base interactions energy: -520.875
where: short stacking energy: -218.712
Base-Backbone interact. energy: 3.356
local terms energy: -249.385919
where:
bonds (distance) C4'-P energy: -41.842
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -54.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -731.592635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.592635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.592635 (E_RNA)
where:
Base-Base interactions energy: -492.169
where: short stacking energy: -211.134
Base-Backbone interact. energy: 0.157
local terms energy: -239.580744
where:
bonds (distance) C4'-P energy: -39.256
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -61.407
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -61.544
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: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -691.344936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.344936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.344936 (E_RNA)
where:
Base-Base interactions energy: -479.234
where: short stacking energy: -210.979
Base-Backbone interact. energy: 0.078
local terms energy: -212.189540
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -34.587
flat angles C4'-P-C4' energy: -49.969
flat angles P-C4'-P energy: -37.759
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: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -429.035441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.035441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.035441 (E_RNA)
where:
Base-Base interactions energy: -274.515
where: short stacking energy: -108.766
Base-Backbone interact. energy: 0.445
local terms energy: -154.965637
where:
bonds (distance) C4'-P energy: -36.161
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -222.686280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.686280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.686280 (E_RNA)
where:
Base-Base interactions energy: -74.180
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.865
local terms energy: -147.641304
where:
bonds (distance) C4'-P energy: -46.065
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -38.782
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -6.554
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: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -950.844676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.844676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.844676 (E_RNA)
where:
Base-Base interactions energy: -658.674
where: short stacking energy: -282.815
Base-Backbone interact. energy: -1.522
local terms energy: -290.648033
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -51.212
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -90.685
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: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -945.816138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.816138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.816138 (E_RNA)
where:
Base-Base interactions energy: -646.913
where: short stacking energy: -266.082
Base-Backbone interact. energy: -0.009
local terms energy: -298.894019
where:
bonds (distance) C4'-P energy: -44.400
bonds (distance) P-C4' energy: -56.199
flat angles C4'-P-C4' energy: -64.717
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -87.349
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: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -874.477095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.477095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.477095 (E_RNA)
where:
Base-Base interactions energy: -604.806
where: short stacking energy: -269.476
Base-Backbone interact. energy: 0.363
local terms energy: -270.034246
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -44.704
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -77.244
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: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -849.607048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.607048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.607048 (E_RNA)
where:
Base-Base interactions energy: -576.380
where: short stacking energy: -252.094
Base-Backbone interact. energy: -0.410
local terms energy: -272.817332
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -47.158
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -71.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -815.740100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.740100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.740100 (E_RNA)
where:
Base-Base interactions energy: -565.136
where: short stacking energy: -232.023
Base-Backbone interact. energy: 0.472
local terms energy: -251.076094
where:
bonds (distance) C4'-P energy: -38.913
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -63.942
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -67.162
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: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -786.012935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.012935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.012935 (E_RNA)
where:
Base-Base interactions energy: -551.706
where: short stacking energy: -233.872
Base-Backbone interact. energy: -0.711
local terms energy: -233.596459
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -38.055
flat angles C4'-P-C4' energy: -54.963
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -56.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -717.076798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.076798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.076798 (E_RNA)
where:
Base-Base interactions energy: -516.555
where: short stacking energy: -199.544
Base-Backbone interact. energy: -0.422
local terms energy: -200.099638
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -50.129
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -43.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -655.703876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.703876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.703876 (E_RNA)
where:
Base-Base interactions energy: -425.584
where: short stacking energy: -181.479
Base-Backbone interact. energy: -0.311
local terms energy: -229.808798
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -50.729
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -47.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -419.454457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.454457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.454457 (E_RNA)
where:
Base-Base interactions energy: -225.582
where: short stacking energy: -106.803
Base-Backbone interact. energy: -0.965
local terms energy: -192.906779
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -48.168
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -238.239023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.239023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.239023 (E_RNA)
where:
Base-Base interactions energy: -75.298
where: short stacking energy: -67.652
Base-Backbone interact. energy: 0.039
local terms energy: -162.979525
where:
bonds (distance) C4'-P energy: -47.310
bonds (distance) P-C4' energy: -42.932
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: 2.441
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: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -951.923793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.923793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.923793 (E_RNA)
where:
Base-Base interactions energy: -680.313
where: short stacking energy: -299.739
Base-Backbone interact. energy: -0.825
local terms energy: -270.786198
where:
bonds (distance) C4'-P energy: -43.449
bonds (distance) P-C4' energy: -48.433
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -87.264
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: 302
Temperature: 0.950000
Total energy: -947.963131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.963131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.963131 (E_RNA)
where:
Base-Base interactions energy: -658.049
where: short stacking energy: -284.006
Base-Backbone interact. energy: 1.650
local terms energy: -291.564031
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -36.349
tors. eta vs tors. theta energy: -87.680
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: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -881.009721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.009721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.009721 (E_RNA)
where:
Base-Base interactions energy: -603.554
where: short stacking energy: -270.250
Base-Backbone interact. energy: 0.311
local terms energy: -277.766413
where:
bonds (distance) C4'-P energy: -54.733
bonds (distance) P-C4' energy: -46.409
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -40.625
tors. eta vs tors. theta energy: -78.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -844.992904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.992904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.992904 (E_RNA)
where:
Base-Base interactions energy: -572.520
where: short stacking energy: -259.608
Base-Backbone interact. energy: -0.027
local terms energy: -272.446155
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -57.364
flat angles P-C4'-P energy: -36.071
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: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -802.217222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.217222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.217222 (E_RNA)
where:
Base-Base interactions energy: -546.748
where: short stacking energy: -229.562
Base-Backbone interact. energy: -0.422
local terms energy: -255.047108
where:
bonds (distance) C4'-P energy: -50.487
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -67.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -790.645751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.645751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.645751 (E_RNA)
where:
Base-Base interactions energy: -530.146
where: short stacking energy: -220.993
Base-Backbone interact. energy: -0.034
local terms energy: -260.466008
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -40.802
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -738.437443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.437443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.437443 (E_RNA)
where:
Base-Base interactions energy: -508.961
where: short stacking energy: -201.993
Base-Backbone interact. energy: 1.198
local terms energy: -230.674868
where:
bonds (distance) C4'-P energy: -43.425
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -47.980
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: 302
Temperature: 1.250000
Total energy: -617.412124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.412124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.412124 (E_RNA)
where:
Base-Base interactions energy: -406.273
where: short stacking energy: -173.829
Base-Backbone interact. energy: -0.191
local terms energy: -210.947951
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -58.332
flat angles C4'-P-C4' energy: -42.817
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -29.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -403.438734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.438734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.438734 (E_RNA)
where:
Base-Base interactions energy: -234.451
where: short stacking energy: -120.691
Base-Backbone interact. energy: 2.390
local terms energy: -171.378087
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -51.605
flat angles C4'-P-C4' energy: -41.773
flat angles P-C4'-P energy: -26.068
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -236.211662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.211662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.211662 (E_RNA)
where:
Base-Base interactions energy: -87.432
where: short stacking energy: -72.284
Base-Backbone interact. energy: -0.404
local terms energy: -148.375592
where:
bonds (distance) C4'-P energy: -50.495
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -33.349
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: 5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -968.826816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.826816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.826816 (E_RNA)
where:
Base-Base interactions energy: -674.679
where: short stacking energy: -278.307
Base-Backbone interact. energy: 2.808
local terms energy: -296.955888
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -55.301
flat angles P-C4'-P energy: -45.187
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: 303
Temperature: 0.950000
Total energy: -958.634068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.634068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.634068 (E_RNA)
where:
Base-Base interactions energy: -662.374
where: short stacking energy: -295.273
Base-Backbone interact. energy: 0.481
local terms energy: -296.740954
where:
bonds (distance) C4'-P energy: -50.070
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -47.686
tors. eta vs tors. theta energy: -89.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -878.823577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.823577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.823577 (E_RNA)
where:
Base-Base interactions energy: -612.151
where: short stacking energy: -263.266
Base-Backbone interact. energy: 0.081
local terms energy: -266.753687
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -48.007
flat angles C4'-P-C4' energy: -59.224
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -74.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -816.639360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.639360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.639360 (E_RNA)
where:
Base-Base interactions energy: -555.535
where: short stacking energy: -234.149
Base-Backbone interact. energy: -1.223
local terms energy: -259.880984
where:
bonds (distance) C4'-P energy: -41.079
bonds (distance) P-C4' energy: -55.892
flat angles C4'-P-C4' energy: -53.191
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -67.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -811.974574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.974574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.974574 (E_RNA)
where:
Base-Base interactions energy: -558.748
where: short stacking energy: -221.541
Base-Backbone interact. energy: -0.733
local terms energy: -252.493412
where:
bonds (distance) C4'-P energy: -45.363
bonds (distance) P-C4' energy: -46.032
flat angles C4'-P-C4' energy: -62.038
flat angles P-C4'-P energy: -38.611
tors. eta vs tors. theta energy: -60.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -790.519689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.519689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.519689 (E_RNA)
where:
Base-Base interactions energy: -546.462
where: short stacking energy: -223.749
Base-Backbone interact. energy: -1.369
local terms energy: -242.688845
where:
bonds (distance) C4'-P energy: -47.715
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -46.042
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: -64.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -726.465510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.465510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.465510 (E_RNA)
where:
Base-Base interactions energy: -501.537
where: short stacking energy: -202.333
Base-Backbone interact. energy: -3.222
local terms energy: -221.706477
where:
bonds (distance) C4'-P energy: -46.732
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -46.452
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -55.644
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: 303
Temperature: 1.250000
Total energy: -623.682784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.682784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.682784 (E_RNA)
where:
Base-Base interactions energy: -413.508
where: short stacking energy: -171.212
Base-Backbone interact. energy: -1.613
local terms energy: -208.561844
where:
bonds (distance) C4'-P energy: -42.603
bonds (distance) P-C4' energy: -51.035
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -47.418
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: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -418.910799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.910799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.910799 (E_RNA)
where:
Base-Base interactions energy: -240.548
where: short stacking energy: -126.407
Base-Backbone interact. energy: -0.977
local terms energy: -177.385515
where:
bonds (distance) C4'-P energy: -45.383
bonds (distance) P-C4' energy: -42.298
flat angles C4'-P-C4' energy: -38.006
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -227.257607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.257607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.257607 (E_RNA)
where:
Base-Base interactions energy: -61.484
where: short stacking energy: -60.014
Base-Backbone interact. energy: -1.818
local terms energy: -163.955312
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -39.946
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -962.211405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.211405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.211405 (E_RNA)
where:
Base-Base interactions energy: -658.580
where: short stacking energy: -285.091
Base-Backbone interact. energy: 0.004
local terms energy: -303.636155
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -57.535
flat angles C4'-P-C4' energy: -55.889
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -88.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -950.441934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.441934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.441934 (E_RNA)
where:
Base-Base interactions energy: -663.766
where: short stacking energy: -289.250
Base-Backbone interact. energy: -0.809
local terms energy: -285.867052
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -42.143
tors. eta vs tors. theta energy: -85.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -869.389057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.389057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.389057 (E_RNA)
where:
Base-Base interactions energy: -604.351
where: short stacking energy: -264.897
Base-Backbone interact. energy: -1.001
local terms energy: -264.037157
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -56.820
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -79.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -848.783193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.783193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.783193 (E_RNA)
where:
Base-Base interactions energy: -579.037
where: short stacking energy: -242.539
Base-Backbone interact. energy: -0.845
local terms energy: -268.901887
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -51.236
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -70.101
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: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -823.450071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.450071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.450071 (E_RNA)
where:
Base-Base interactions energy: -563.910
where: short stacking energy: -219.788
Base-Backbone interact. energy: 1.792
local terms energy: -261.332297
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -34.900
tors. eta vs tors. theta energy: -69.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -821.392916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.392916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.392916 (E_RNA)
where:
Base-Base interactions energy: -572.078
where: short stacking energy: -233.726
Base-Backbone interact. energy: 0.735
local terms energy: -250.050018
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -59.011
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -66.734
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: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -699.562394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.562394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.562394 (E_RNA)
where:
Base-Base interactions energy: -476.918
where: short stacking energy: -191.460
Base-Backbone interact. energy: 0.172
local terms energy: -222.816076
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -52.336
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -49.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -630.343354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.343354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.343354 (E_RNA)
where:
Base-Base interactions energy: -421.922
where: short stacking energy: -188.468
Base-Backbone interact. energy: -0.491
local terms energy: -207.929796
where:
bonds (distance) C4'-P energy: -43.821
bonds (distance) P-C4' energy: -47.598
flat angles C4'-P-C4' energy: -38.904
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -44.832
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: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -463.109360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.109360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.109360 (E_RNA)
where:
Base-Base interactions energy: -283.387
where: short stacking energy: -138.256
Base-Backbone interact. energy: 0.651
local terms energy: -180.372673
where:
bonds (distance) C4'-P energy: -38.398
bonds (distance) P-C4' energy: -50.044
flat angles C4'-P-C4' energy: -45.507
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -240.046969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.046969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.046969 (E_RNA)
where:
Base-Base interactions energy: -98.513
where: short stacking energy: -86.469
Base-Backbone interact. energy: -0.841
local terms energy: -140.692392
where:
bonds (distance) C4'-P energy: -39.858
bonds (distance) P-C4' energy: -47.288
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: 1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -944.932685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.932685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.932685 (E_RNA)
where:
Base-Base interactions energy: -637.897
where: short stacking energy: -285.704
Base-Backbone interact. energy: -0.010
local terms energy: -307.025802
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -53.999
flat angles C4'-P-C4' energy: -65.838
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -90.926
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: 305
Temperature: 0.950000
Total energy: -946.124851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.124851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.124851 (E_RNA)
where:
Base-Base interactions energy: -660.956
where: short stacking energy: -292.835
Base-Backbone interact. energy: -0.420
local terms energy: -284.749333
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -46.075
flat angles C4'-P-C4' energy: -62.627
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -862.751850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.751850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.751850 (E_RNA)
where:
Base-Base interactions energy: -605.650
where: short stacking energy: -269.631
Base-Backbone interact. energy: 0.852
local terms energy: -257.953655
where:
bonds (distance) C4'-P energy: -42.698
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -71.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -844.293485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.293485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.293485 (E_RNA)
where:
Base-Base interactions energy: -575.226
where: short stacking energy: -257.578
Base-Backbone interact. energy: -0.819
local terms energy: -268.248354
where:
bonds (distance) C4'-P energy: -56.936
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -38.884
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -785.245818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.245818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.245818 (E_RNA)
where:
Base-Base interactions energy: -537.844
where: short stacking energy: -227.231
Base-Backbone interact. energy: -0.981
local terms energy: -246.420989
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -61.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -809.948901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.948901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.948901 (E_RNA)
where:
Base-Base interactions energy: -542.658
where: short stacking energy: -228.024
Base-Backbone interact. energy: -0.584
local terms energy: -266.706310
where:
bonds (distance) C4'-P energy: -53.515
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -54.412
flat angles P-C4'-P energy: -50.106
tors. eta vs tors. theta energy: -64.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -706.243149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.243149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.243149 (E_RNA)
where:
Base-Base interactions energy: -490.149
where: short stacking energy: -188.079
Base-Backbone interact. energy: -0.629
local terms energy: -215.465423
where:
bonds (distance) C4'-P energy: -43.634
bonds (distance) P-C4' energy: -45.277
flat angles C4'-P-C4' energy: -46.585
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -45.611
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: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -609.956051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.956051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.956051 (E_RNA)
where:
Base-Base interactions energy: -428.712
where: short stacking energy: -180.985
Base-Backbone interact. energy: -0.428
local terms energy: -180.815686
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -32.217
tors. eta vs tors. theta energy: -38.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -403.824209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.824209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.824209 (E_RNA)
where:
Base-Base interactions energy: -233.663
where: short stacking energy: -105.875
Base-Backbone interact. energy: 2.176
local terms energy: -172.336871
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -47.866
flat angles C4'-P-C4' energy: -43.181
flat angles P-C4'-P energy: -29.429
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -223.480071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.480071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.480071 (E_RNA)
where:
Base-Base interactions energy: -90.093
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.592
local terms energy: -132.794352
where:
bonds (distance) C4'-P energy: -46.273
bonds (distance) P-C4' energy: -36.619
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: 5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -976.520470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.520470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.520470 (E_RNA)
where:
Base-Base interactions energy: -679.316
where: short stacking energy: -302.127
Base-Backbone interact. energy: -0.563
local terms energy: -296.641320
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -54.100
flat angles C4'-P-C4' energy: -61.745
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -91.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -929.670075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.670075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.670075 (E_RNA)
where:
Base-Base interactions energy: -656.487
where: short stacking energy: -279.765
Base-Backbone interact. energy: -1.464
local terms energy: -271.718456
where:
bonds (distance) C4'-P energy: -58.825
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -57.456
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -79.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -868.654807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.654807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.654807 (E_RNA)
where:
Base-Base interactions energy: -582.189
where: short stacking energy: -277.234
Base-Backbone interact. energy: -0.804
local terms energy: -285.661243
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -59.599
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -77.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -865.625761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.625761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.625761 (E_RNA)
where:
Base-Base interactions energy: -588.402
where: short stacking energy: -264.076
Base-Backbone interact. energy: -0.091
local terms energy: -277.133025
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -47.792
flat angles C4'-P-C4' energy: -60.013
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -81.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -800.450002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.450002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.450002 (E_RNA)
where:
Base-Base interactions energy: -536.225
where: short stacking energy: -226.297
Base-Backbone interact. energy: -1.190
local terms energy: -263.034833
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -40.098
tors. eta vs tors. theta energy: -63.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -790.075155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.075155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.075155 (E_RNA)
where:
Base-Base interactions energy: -555.830
where: short stacking energy: -227.929
Base-Backbone interact. energy: -2.580
local terms energy: -231.665474
where:
bonds (distance) C4'-P energy: -33.196
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -59.728
flat angles P-C4'-P energy: -33.199
tors. eta vs tors. theta energy: -56.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -748.856776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.856776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.856776 (E_RNA)
where:
Base-Base interactions energy: -507.681
where: short stacking energy: -216.014
Base-Backbone interact. energy: -1.299
local terms energy: -239.876402
where:
bonds (distance) C4'-P energy: -45.989
bonds (distance) P-C4' energy: -53.594
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -25.195
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: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -642.434616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.434616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.434616 (E_RNA)
where:
Base-Base interactions energy: -428.569
where: short stacking energy: -187.581
Base-Backbone interact. energy: -1.029
local terms energy: -212.836413
where:
bonds (distance) C4'-P energy: -43.656
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: -49.753
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -399.699265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.699265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.699265 (E_RNA)
where:
Base-Base interactions energy: -224.712
where: short stacking energy: -111.800
Base-Backbone interact. energy: 2.528
local terms energy: -177.515857
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -49.926
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -217.600956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.600956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600956 (E_RNA)
where:
Base-Base interactions energy: -92.249
where: short stacking energy: -62.604
Base-Backbone interact. energy: -1.795
local terms energy: -123.557057
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -35.512
flat angles C4'-P-C4' energy: -40.572
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: 6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -954.431839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.431839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.431839 (E_RNA)
where:
Base-Base interactions energy: -658.872
where: short stacking energy: -276.448
Base-Backbone interact. energy: -0.519
local terms energy: -295.040933
where:
bonds (distance) C4'-P energy: -51.439
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -63.882
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -87.225
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -894.214194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.214194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.214194 (E_RNA)
where:
Base-Base interactions energy: -610.950
where: short stacking energy: -280.186
Base-Backbone interact. energy: 0.166
local terms energy: -283.429254
where:
bonds (distance) C4'-P energy: -50.127
bonds (distance) P-C4' energy: -56.634
flat angles C4'-P-C4' energy: -61.082
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -81.019
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: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -912.090542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.090542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.090542 (E_RNA)
where:
Base-Base interactions energy: -620.923
where: short stacking energy: -272.122
Base-Backbone interact. energy: -0.828
local terms energy: -290.339838
where:
bonds (distance) C4'-P energy: -43.500
bonds (distance) P-C4' energy: -52.755
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -91.869
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: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -856.789691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.789691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.789691 (E_RNA)
where:
Base-Base interactions energy: -586.942
where: short stacking energy: -266.356
Base-Backbone interact. energy: -0.296
local terms energy: -269.552010
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -59.147
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: -72.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -811.678698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.678698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.678698 (E_RNA)
where:
Base-Base interactions energy: -543.691
where: short stacking energy: -220.659
Base-Backbone interact. energy: -1.580
local terms energy: -266.407418
where:
bonds (distance) C4'-P energy: -60.813
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -62.384
flat angles P-C4'-P energy: -40.028
tors. eta vs tors. theta energy: -63.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -776.065265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.065265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.065265 (E_RNA)
where:
Base-Base interactions energy: -535.956
where: short stacking energy: -225.601
Base-Backbone interact. energy: -0.453
local terms energy: -239.657129
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -56.643
flat angles P-C4'-P energy: -29.874
tors. eta vs tors. theta energy: -58.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -755.787130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.787130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.787130 (E_RNA)
where:
Base-Base interactions energy: -521.986
where: short stacking energy: -220.199
Base-Backbone interact. energy: -0.481
local terms energy: -233.320443
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -47.637
flat angles C4'-P-C4' energy: -49.833
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -60.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -603.882515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.882515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.882515 (E_RNA)
where:
Base-Base interactions energy: -408.182
where: short stacking energy: -169.013
Base-Backbone interact. energy: 1.004
local terms energy: -196.703701
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -40.175
flat angles C4'-P-C4' energy: -46.943
flat angles P-C4'-P energy: -35.138
tors. eta vs tors. theta energy: -34.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -415.105711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.105711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.105711 (E_RNA)
where:
Base-Base interactions energy: -237.459
where: short stacking energy: -123.236
Base-Backbone interact. energy: -0.454
local terms energy: -177.193216
where:
bonds (distance) C4'-P energy: -38.388
bonds (distance) P-C4' energy: -52.248
flat angles C4'-P-C4' energy: -35.109
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -225.433657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.433657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.433657 (E_RNA)
where:
Base-Base interactions energy: -92.751
where: short stacking energy: -82.508
Base-Backbone interact. energy: -1.328
local terms energy: -131.355171
where:
bonds (distance) C4'-P energy: -36.781
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: 8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -963.914275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.914275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.914275 (E_RNA)
where:
Base-Base interactions energy: -662.293
where: short stacking energy: -276.558
Base-Backbone interact. energy: 1.539
local terms energy: -303.160176
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -59.609
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -91.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -889.604400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.604400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.604400 (E_RNA)
where:
Base-Base interactions energy: -606.219
where: short stacking energy: -270.581
Base-Backbone interact. energy: -1.069
local terms energy: -282.316760
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -60.854
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -924.976004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.976004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.976004 (E_RNA)
where:
Base-Base interactions energy: -623.657
where: short stacking energy: -270.590
Base-Backbone interact. energy: -1.254
local terms energy: -300.064760
where:
bonds (distance) C4'-P energy: -52.711
bonds (distance) P-C4' energy: -50.967
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -84.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -871.834229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.834229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.834229 (E_RNA)
where:
Base-Base interactions energy: -583.950
where: short stacking energy: -252.468
Base-Backbone interact. energy: -1.378
local terms energy: -286.506372
where:
bonds (distance) C4'-P energy: -50.974
bonds (distance) P-C4' energy: -55.626
flat angles C4'-P-C4' energy: -63.384
flat angles P-C4'-P energy: -37.104
tors. eta vs tors. theta energy: -79.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -789.823531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.823531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.823531 (E_RNA)
where:
Base-Base interactions energy: -532.815
where: short stacking energy: -233.314
Base-Backbone interact. energy: -1.022
local terms energy: -255.986546
where:
bonds (distance) C4'-P energy: -53.690
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -54.547
flat angles P-C4'-P energy: -34.212
tors. eta vs tors. theta energy: -64.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -783.049957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.049957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.049957 (E_RNA)
where:
Base-Base interactions energy: -528.772
where: short stacking energy: -225.740
Base-Backbone interact. energy: -0.569
local terms energy: -253.708772
where:
bonds (distance) C4'-P energy: -52.325
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -46.855
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -68.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -747.098864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.098864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.098864 (E_RNA)
where:
Base-Base interactions energy: -519.608
where: short stacking energy: -226.062
Base-Backbone interact. energy: 2.352
local terms energy: -229.842751
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -35.450
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: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -592.417330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.417330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.417330 (E_RNA)
where:
Base-Base interactions energy: -389.249
where: short stacking energy: -164.933
Base-Backbone interact. energy: -0.844
local terms energy: -202.323903
where:
bonds (distance) C4'-P energy: -52.178
bonds (distance) P-C4' energy: -40.213
flat angles C4'-P-C4' energy: -39.108
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -35.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -458.092663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.092663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.092663 (E_RNA)
where:
Base-Base interactions energy: -291.196
where: short stacking energy: -134.967
Base-Backbone interact. energy: -0.737
local terms energy: -166.159654
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -53.316
flat angles P-C4'-P energy: -19.179
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -226.261169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.261169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.261169 (E_RNA)
where:
Base-Base interactions energy: -80.074
where: short stacking energy: -61.615
Base-Backbone interact. energy: -1.020
local terms energy: -145.167121
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: 3.602
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -971.689832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.689832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.689832 (E_RNA)
where:
Base-Base interactions energy: -678.262
where: short stacking energy: -294.290
Base-Backbone interact. energy: -0.782
local terms energy: -292.645277
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -55.126
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -41.575
tors. eta vs tors. theta energy: -90.378
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: 309
Temperature: 0.950000
Total energy: -939.940896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.940896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.940896 (E_RNA)
where:
Base-Base interactions energy: -653.938
where: short stacking energy: -266.171
Base-Backbone interact. energy: -0.466
local terms energy: -285.536615
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -60.653
flat angles P-C4'-P energy: -44.375
tors. eta vs tors. theta energy: -80.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -898.473106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.473106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.473106 (E_RNA)
where:
Base-Base interactions energy: -604.564
where: short stacking energy: -255.447
Base-Backbone interact. energy: -0.764
local terms energy: -293.145134
where:
bonds (distance) C4'-P energy: -60.328
bonds (distance) P-C4' energy: -52.312
flat angles C4'-P-C4' energy: -56.245
flat angles P-C4'-P energy: -41.004
tors. eta vs tors. theta energy: -83.256
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: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -841.446429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.446429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.446429 (E_RNA)
where:
Base-Base interactions energy: -573.867
where: short stacking energy: -266.235
Base-Backbone interact. energy: 1.889
local terms energy: -269.468849
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -77.770
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: 309
Temperature: 1.100000
Total energy: -781.884031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.884031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.884031 (E_RNA)
where:
Base-Base interactions energy: -525.587
where: short stacking energy: -220.919
Base-Backbone interact. energy: -1.157
local terms energy: -255.140522
where:
bonds (distance) C4'-P energy: -51.280
bonds (distance) P-C4' energy: -48.195
flat angles C4'-P-C4' energy: -57.876
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -61.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -803.319441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.319441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.319441 (E_RNA)
where:
Base-Base interactions energy: -551.729
where: short stacking energy: -236.349
Base-Backbone interact. energy: -1.005
local terms energy: -250.584989
where:
bonds (distance) C4'-P energy: -49.640
bonds (distance) P-C4' energy: -41.834
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -71.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -774.537451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.537451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.537451 (E_RNA)
where:
Base-Base interactions energy: -531.393
where: short stacking energy: -215.575
Base-Backbone interact. energy: 1.099
local terms energy: -244.242970
where:
bonds (distance) C4'-P energy: -48.103
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -57.698
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: -55.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -559.717844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.717844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.717844 (E_RNA)
where:
Base-Base interactions energy: -354.695
where: short stacking energy: -144.904
Base-Backbone interact. energy: 0.405
local terms energy: -205.428245
where:
bonds (distance) C4'-P energy: -48.118
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -28.889
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -450.210006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.210006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.210006 (E_RNA)
where:
Base-Base interactions energy: -267.719
where: short stacking energy: -133.463
Base-Backbone interact. energy: 0.787
local terms energy: -183.277510
where:
bonds (distance) C4'-P energy: -31.052
bonds (distance) P-C4' energy: -54.535
flat angles C4'-P-C4' energy: -43.762
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -30.866
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: 309
Temperature: 1.350000
Total energy: -233.398741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.398741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.398741 (E_RNA)
where:
Base-Base interactions energy: -68.357
where: short stacking energy: -53.124
Base-Backbone interact. energy: -1.237
local terms energy: -163.805171
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -55.134
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -30.111
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: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -963.041855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.041855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.041855 (E_RNA)
where:
Base-Base interactions energy: -664.016
where: short stacking energy: -285.583
Base-Backbone interact. energy: -1.212
local terms energy: -297.813194
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -53.111
flat angles C4'-P-C4' energy: -63.546
flat angles P-C4'-P energy: -40.356
tors. eta vs tors. theta energy: -91.285
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: 310
Temperature: 0.950000
Total energy: -973.345603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.345603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.345603 (E_RNA)
where:
Base-Base interactions energy: -674.193
where: short stacking energy: -295.040
Base-Backbone interact. energy: -0.949
local terms energy: -298.204137
where:
bonds (distance) C4'-P energy: -47.512
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -62.119
flat angles P-C4'-P energy: -48.312
tors. eta vs tors. theta energy: -85.018
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -885.483757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.483757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.483757 (E_RNA)
where:
Base-Base interactions energy: -602.591
where: short stacking energy: -256.085
Base-Backbone interact. energy: -0.532
local terms energy: -282.360195
where:
bonds (distance) C4'-P energy: -42.231
bonds (distance) P-C4' energy: -60.952
flat angles C4'-P-C4' energy: -60.750
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -75.278
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: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -842.995913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.995913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.995913 (E_RNA)
where:
Base-Base interactions energy: -577.256
where: short stacking energy: -246.892
Base-Backbone interact. energy: -1.098
local terms energy: -264.641958
where:
bonds (distance) C4'-P energy: -45.399
bonds (distance) P-C4' energy: -61.697
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -67.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -791.756693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.756693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.756693 (E_RNA)
where:
Base-Base interactions energy: -551.645
where: short stacking energy: -222.601
Base-Backbone interact. energy: 0.229
local terms energy: -240.340075
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -27.387
tors. eta vs tors. theta energy: -55.461
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: 310
Temperature: 1.150000
Total energy: -789.641800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.641800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.641800 (E_RNA)
where:
Base-Base interactions energy: -552.450
where: short stacking energy: -235.885
Base-Backbone interact. energy: 2.152
local terms energy: -239.343194
where:
bonds (distance) C4'-P energy: -39.985
bonds (distance) P-C4' energy: -52.647
flat angles C4'-P-C4' energy: -44.196
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -65.272
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -757.706443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.706443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.706443 (E_RNA)
where:
Base-Base interactions energy: -506.323
where: short stacking energy: -202.489
Base-Backbone interact. energy: -0.657
local terms energy: -250.726397
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -54.073
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -36.398
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: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -623.822989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.822989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.822989 (E_RNA)
where:
Base-Base interactions energy: -395.680
where: short stacking energy: -168.751
Base-Backbone interact. energy: -0.097
local terms energy: -228.045919
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -50.735
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: -48.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -426.667305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.667305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.667305 (E_RNA)
where:
Base-Base interactions energy: -247.049
where: short stacking energy: -140.407
Base-Backbone interact. energy: -1.459
local terms energy: -178.159833
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -46.520
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -22.277
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: 310
Temperature: 1.350000
Total energy: -228.698689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.698689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.698689 (E_RNA)
where:
Base-Base interactions energy: -74.899
where: short stacking energy: -65.445
Base-Backbone interact. energy: 1.099
local terms energy: -154.898657
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -48.668
flat angles C4'-P-C4' energy: -35.129
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -2.334
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: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -964.950561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.950561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.950561 (E_RNA)
where:
Base-Base interactions energy: -658.581
where: short stacking energy: -276.938
Base-Backbone interact. energy: 3.514
local terms energy: -309.882843
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -56.203
flat angles C4'-P-C4' energy: -63.339
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -88.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -946.134798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.134798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.134798 (E_RNA)
where:
Base-Base interactions energy: -649.164
where: short stacking energy: -277.114
Base-Backbone interact. energy: -1.108
local terms energy: -295.862209
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -52.215
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -92.812
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: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -891.121720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.121720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.121720 (E_RNA)
where:
Base-Base interactions energy: -624.492
where: short stacking energy: -268.933
Base-Backbone interact. energy: -0.383
local terms energy: -266.246053
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -48.598
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -76.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -849.206332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.206332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.206332 (E_RNA)
where:
Base-Base interactions energy: -572.797
where: short stacking energy: -257.530
Base-Backbone interact. energy: 0.088
local terms energy: -276.497262
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -52.141
flat angles P-C4'-P energy: -42.854
tors. eta vs tors. theta energy: -77.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -797.016143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.016143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.016143 (E_RNA)
where:
Base-Base interactions energy: -543.834
where: short stacking energy: -224.232
Base-Backbone interact. energy: -1.334
local terms energy: -251.847898
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -34.387
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: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -790.066504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.066504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.066504 (E_RNA)
where:
Base-Base interactions energy: -524.211
where: short stacking energy: -224.613
Base-Backbone interact. energy: 0.127
local terms energy: -265.982704
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -61.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -771.456440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.456440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.456440 (E_RNA)
where:
Base-Base interactions energy: -518.749
where: short stacking energy: -217.134
Base-Backbone interact. energy: -0.937
local terms energy: -251.769934
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -38.034
tors. eta vs tors. theta energy: -62.826
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: 311
Temperature: 1.250000
Total energy: -634.985362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.985362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.985362 (E_RNA)
where:
Base-Base interactions energy: -433.906
where: short stacking energy: -196.118
Base-Backbone interact. energy: -0.589
local terms energy: -200.490711
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -48.018
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -45.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -473.182091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.182091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.182091 (E_RNA)
where:
Base-Base interactions energy: -271.595
where: short stacking energy: -134.691
Base-Backbone interact. energy: -0.758
local terms energy: -200.828809
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -233.451285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.451285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.451285 (E_RNA)
where:
Base-Base interactions energy: -70.409
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.753
local terms energy: -162.289767
where:
bonds (distance) C4'-P energy: -50.571
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -973.109241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.109241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.109241 (E_RNA)
where:
Base-Base interactions energy: -666.165
where: short stacking energy: -298.336
Base-Backbone interact. energy: -1.656
local terms energy: -305.289015
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -92.959
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -923.742292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.742292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.742292 (E_RNA)
where:
Base-Base interactions energy: -640.666
where: short stacking energy: -270.532
Base-Backbone interact. energy: -2.449
local terms energy: -280.627518
where:
bonds (distance) C4'-P energy: -44.867
bonds (distance) P-C4' energy: -52.912
flat angles C4'-P-C4' energy: -59.958
flat angles P-C4'-P energy: -43.312
tors. eta vs tors. theta energy: -79.579
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: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -888.502177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.502177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.502177 (E_RNA)
where:
Base-Base interactions energy: -625.019
where: short stacking energy: -269.617
Base-Backbone interact. energy: -2.186
local terms energy: -261.296633
where:
bonds (distance) C4'-P energy: -32.350
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -61.783
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -74.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -835.380638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.380638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.380638 (E_RNA)
where:
Base-Base interactions energy: -581.096
where: short stacking energy: -252.024
Base-Backbone interact. energy: 1.203
local terms energy: -255.486883
where:
bonds (distance) C4'-P energy: -45.991
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -68.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -810.838202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.838202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.838202 (E_RNA)
where:
Base-Base interactions energy: -550.867
where: short stacking energy: -229.513
Base-Backbone interact. energy: -1.189
local terms energy: -258.782690
where:
bonds (distance) C4'-P energy: -45.246
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: -65.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -785.869028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.869028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.869028 (E_RNA)
where:
Base-Base interactions energy: -563.519
where: short stacking energy: -239.094
Base-Backbone interact. energy: -1.383
local terms energy: -220.966330
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -65.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -783.353504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.353504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.353504 (E_RNA)
where:
Base-Base interactions energy: -530.001
where: short stacking energy: -233.784
Base-Backbone interact. energy: -0.510
local terms energy: -252.842427
where:
bonds (distance) C4'-P energy: -39.329
bonds (distance) P-C4' energy: -57.697
flat angles C4'-P-C4' energy: -47.733
flat angles P-C4'-P energy: -45.456
tors. eta vs tors. theta energy: -62.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -651.121290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.121290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.121290 (E_RNA)
where:
Base-Base interactions energy: -437.295
where: short stacking energy: -180.430
Base-Backbone interact. energy: -0.447
local terms energy: -213.380040
where:
bonds (distance) C4'-P energy: -41.996
bonds (distance) P-C4' energy: -45.975
flat angles C4'-P-C4' energy: -44.520
flat angles P-C4'-P energy: -32.093
tors. eta vs tors. theta energy: -48.797
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: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -437.869356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.869356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.869356 (E_RNA)
where:
Base-Base interactions energy: -259.276
where: short stacking energy: -109.135
Base-Backbone interact. energy: -0.529
local terms energy: -178.064865
where:
bonds (distance) C4'-P energy: -47.415
bonds (distance) P-C4' energy: -46.788
flat angles C4'-P-C4' energy: -38.665
flat angles P-C4'-P energy: -28.384
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -245.630329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.630329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.630329 (E_RNA)
where:
Base-Base interactions energy: -80.835
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.555
local terms energy: -164.241058
where:
bonds (distance) C4'-P energy: -45.613
bonds (distance) P-C4' energy: -43.639
flat angles C4'-P-C4' energy: -39.216
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -957.470565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.470565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.470565 (E_RNA)
where:
Base-Base interactions energy: -663.814
where: short stacking energy: -292.284
Base-Backbone interact. energy: -1.947
local terms energy: -291.709770
where:
bonds (distance) C4'-P energy: -53.027
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -57.112
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -94.482
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -941.812946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.812946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.812946 (E_RNA)
where:
Base-Base interactions energy: -657.386
where: short stacking energy: -278.806
Base-Backbone interact. energy: 0.300
local terms energy: -284.726366
where:
bonds (distance) C4'-P energy: -48.675
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -52.115
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -87.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -899.855555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.855555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.855555 (E_RNA)
where:
Base-Base interactions energy: -610.538
where: short stacking energy: -261.846
Base-Backbone interact. energy: -1.327
local terms energy: -287.990267
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -60.733
flat angles P-C4'-P energy: -40.254
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: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -853.902228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.902228 (E_RNA)
where:
Base-Base interactions energy: -587.671
where: short stacking energy: -248.479
Base-Backbone interact. energy: -0.438
local terms energy: -265.793649
where:
bonds (distance) C4'-P energy: -53.526
bonds (distance) P-C4' energy: -54.483
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -71.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -803.697179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.697179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.697179 (E_RNA)
where:
Base-Base interactions energy: -556.479
where: short stacking energy: -246.978
Base-Backbone interact. energy: -1.222
local terms energy: -245.996270
where:
bonds (distance) C4'-P energy: -44.951
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -65.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -805.037759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.037759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.037759 (E_RNA)
where:
Base-Base interactions energy: -554.517
where: short stacking energy: -241.402
Base-Backbone interact. energy: -0.190
local terms energy: -250.330748
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -49.557
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -789.976400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.976400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.976400 (E_RNA)
where:
Base-Base interactions energy: -535.144
where: short stacking energy: -233.054
Base-Backbone interact. energy: -0.972
local terms energy: -253.860843
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -53.886
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -69.282
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: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -619.014746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.014746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.014746 (E_RNA)
where:
Base-Base interactions energy: -413.140
where: short stacking energy: -165.290
Base-Backbone interact. energy: -1.067
local terms energy: -204.807569
where:
bonds (distance) C4'-P energy: -50.142
bonds (distance) P-C4' energy: -43.470
flat angles C4'-P-C4' energy: -47.035
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -40.453
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: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -402.046596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.046596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.046596 (E_RNA)
where:
Base-Base interactions energy: -221.482
where: short stacking energy: -114.506
Base-Backbone interact. energy: 3.361
local terms energy: -183.924836
where:
bonds (distance) C4'-P energy: -45.668
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -27.944
tors. eta vs tors. theta energy: -9.353
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: 313
Temperature: 1.350000
Total energy: -208.261603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.261603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.261603 (E_RNA)
where:
Base-Base interactions energy: -65.734
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.760
local terms energy: -141.767404
where:
bonds (distance) C4'-P energy: -48.548
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -48.415
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: 13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -965.940004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.940004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.940004 (E_RNA)
where:
Base-Base interactions energy: -656.432
where: short stacking energy: -285.703
Base-Backbone interact. energy: -1.482
local terms energy: -308.025702
where:
bonds (distance) C4'-P energy: -55.332
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -59.124
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -92.130
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: 314
Temperature: 0.950000
Total energy: -941.039268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.039268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.039268 (E_RNA)
where:
Base-Base interactions energy: -658.329
where: short stacking energy: -281.812
Base-Backbone interact. energy: 5.691
local terms energy: -288.401458
where:
bonds (distance) C4'-P energy: -57.037
bonds (distance) P-C4' energy: -48.585
flat angles C4'-P-C4' energy: -57.405
flat angles P-C4'-P energy: -39.036
tors. eta vs tors. theta energy: -86.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -911.132975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.132975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.132975 (E_RNA)
where:
Base-Base interactions energy: -629.303
where: short stacking energy: -277.606
Base-Backbone interact. energy: 0.889
local terms energy: -282.718485
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -79.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -843.872204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.872204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.872204 (E_RNA)
where:
Base-Base interactions energy: -582.006
where: short stacking energy: -255.160
Base-Backbone interact. energy: -1.685
local terms energy: -260.181782
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -46.093
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -69.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -801.806304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.806304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.806304 (E_RNA)
where:
Base-Base interactions energy: -563.582
where: short stacking energy: -246.238
Base-Backbone interact. energy: 0.556
local terms energy: -238.780866
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -68.573
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: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -777.639427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.639427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.639427 (E_RNA)
where:
Base-Base interactions energy: -531.493
where: short stacking energy: -210.871
Base-Backbone interact. energy: -0.746
local terms energy: -245.401118
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -50.144
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: -67.248
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -798.588031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.588031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.588031 (E_RNA)
where:
Base-Base interactions energy: -548.051
where: short stacking energy: -244.188
Base-Backbone interact. energy: 2.064
local terms energy: -252.601125
where:
bonds (distance) C4'-P energy: -43.687
bonds (distance) P-C4' energy: -44.823
flat angles C4'-P-C4' energy: -51.672
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -72.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -645.907312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.907312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.907312 (E_RNA)
where:
Base-Base interactions energy: -428.686
where: short stacking energy: -176.057
Base-Backbone interact. energy: -0.460
local terms energy: -216.761619
where:
bonds (distance) C4'-P energy: -50.413
bonds (distance) P-C4' energy: -43.688
flat angles C4'-P-C4' energy: -54.214
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -38.514
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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -404.295414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.295414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.295414 (E_RNA)
where:
Base-Base interactions energy: -220.608
where: short stacking energy: -116.668
Base-Backbone interact. energy: -0.161
local terms energy: -183.526838
where:
bonds (distance) C4'-P energy: -48.571
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -48.130
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -13.669
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: 314
Temperature: 1.350000
Total energy: -223.006146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.006146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.006146 (E_RNA)
where:
Base-Base interactions energy: -63.786
where: short stacking energy: -62.531
Base-Backbone interact. energy: -1.998
local terms energy: -157.221587
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -40.986
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: 7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -955.630978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.630978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.630978 (E_RNA)
where:
Base-Base interactions energy: -660.868
where: short stacking energy: -290.455
Base-Backbone interact. energy: -0.922
local terms energy: -293.840993
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -58.094
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -87.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -940.487624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.487624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.487624 (E_RNA)
where:
Base-Base interactions energy: -649.144
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.733
local terms energy: -290.610096
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -59.121
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -84.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -899.167085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.167085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.167085 (E_RNA)
where:
Base-Base interactions energy: -603.266
where: short stacking energy: -260.191
Base-Backbone interact. energy: -2.202
local terms energy: -293.698380
where:
bonds (distance) C4'-P energy: -53.780
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -65.366
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -77.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -837.510637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.510637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.510637 (E_RNA)
where:
Base-Base interactions energy: -563.966
where: short stacking energy: -246.407
Base-Backbone interact. energy: -1.247
local terms energy: -272.298255
where:
bonds (distance) C4'-P energy: -41.065
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -58.940
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -69.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -820.563766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.563766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.563766 (E_RNA)
where:
Base-Base interactions energy: -559.631
where: short stacking energy: -238.320
Base-Backbone interact. energy: -0.551
local terms energy: -260.381761
where:
bonds (distance) C4'-P energy: -44.804
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -66.763
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: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -803.509049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.509049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.509049 (E_RNA)
where:
Base-Base interactions energy: -530.621
where: short stacking energy: -212.245
Base-Backbone interact. energy: -1.170
local terms energy: -271.718043
where:
bonds (distance) C4'-P energy: -54.163
bonds (distance) P-C4' energy: -58.624
flat angles C4'-P-C4' energy: -52.990
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -68.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -778.206832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.206832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.206832 (E_RNA)
where:
Base-Base interactions energy: -537.839
where: short stacking energy: -223.455
Base-Backbone interact. energy: 0.174
local terms energy: -240.542057
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -47.089
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -39.773
tors. eta vs tors. theta energy: -63.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -622.655417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.655417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.655417 (E_RNA)
where:
Base-Base interactions energy: -399.647
where: short stacking energy: -170.992
Base-Backbone interact. energy: 0.519
local terms energy: -223.526876
where:
bonds (distance) C4'-P energy: -50.269
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -53.436
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -45.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -426.377430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.377430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.377430 (E_RNA)
where:
Base-Base interactions energy: -246.900
where: short stacking energy: -119.730
Base-Backbone interact. energy: 1.523
local terms energy: -181.000741
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -23.431
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: 315
Temperature: 1.350000
Total energy: -232.469806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.469806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.469806 (E_RNA)
where:
Base-Base interactions energy: -77.456
where: short stacking energy: -67.349
Base-Backbone interact. energy: 3.399
local terms energy: -158.412672
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: 2.019
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -960.373069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.373069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.373069 (E_RNA)
where:
Base-Base interactions energy: -654.868
where: short stacking energy: -278.598
Base-Backbone interact. energy: -1.403
local terms energy: -304.102206
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -53.216
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -90.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -941.751889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.751889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.751889 (E_RNA)
where:
Base-Base interactions energy: -661.408
where: short stacking energy: -283.470
Base-Backbone interact. energy: -0.782
local terms energy: -279.561254
where:
bonds (distance) C4'-P energy: -48.201
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -30.423
tors. eta vs tors. theta energy: -90.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -886.593651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.593651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.593651 (E_RNA)
where:
Base-Base interactions energy: -612.045
where: short stacking energy: -255.185
Base-Backbone interact. energy: -0.312
local terms energy: -274.236876
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -58.306
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -72.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -845.407280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.407280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.407280 (E_RNA)
where:
Base-Base interactions energy: -573.989
where: short stacking energy: -245.086
Base-Backbone interact. energy: -0.806
local terms energy: -270.612091
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -39.777
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: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -828.294588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.294588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.294588 (E_RNA)
where:
Base-Base interactions energy: -559.191
where: short stacking energy: -256.524
Base-Backbone interact. energy: -0.646
local terms energy: -268.457788
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -34.212
tors. eta vs tors. theta energy: -81.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -801.017397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.017397 (E_RNA)
where:
Base-Base interactions energy: -554.642
where: short stacking energy: -237.670
Base-Backbone interact. energy: -0.746
local terms energy: -245.629907
where:
bonds (distance) C4'-P energy: -42.131
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -29.571
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -783.128278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.128278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.128278 (E_RNA)
where:
Base-Base interactions energy: -550.213
where: short stacking energy: -235.859
Base-Backbone interact. energy: 0.087
local terms energy: -233.001901
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -44.781
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -64.343
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -596.900019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.900019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.900019 (E_RNA)
where:
Base-Base interactions energy: -391.797
where: short stacking energy: -184.282
Base-Backbone interact. energy: -1.163
local terms energy: -203.940240
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -40.921
flat angles C4'-P-C4' energy: -44.148
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -39.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -435.874831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.874831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.874831 (E_RNA)
where:
Base-Base interactions energy: -256.412
where: short stacking energy: -127.454
Base-Backbone interact. energy: -1.103
local terms energy: -178.360158
where:
bonds (distance) C4'-P energy: -45.544
bonds (distance) P-C4' energy: -44.223
flat angles C4'-P-C4' energy: -42.439
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -238.118715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.118715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.118715 (E_RNA)
where:
Base-Base interactions energy: -81.840
where: short stacking energy: -80.964
Base-Backbone interact. energy: -0.659
local terms energy: -155.620389
where:
bonds (distance) C4'-P energy: -38.725
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -987.939263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.939263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.939263 (E_RNA)
where:
Base-Base interactions energy: -675.114
where: short stacking energy: -302.455
Base-Backbone interact. energy: -0.682
local terms energy: -312.143115
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -67.489
flat angles P-C4'-P energy: -39.140
tors. eta vs tors. theta energy: -93.956
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: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -925.270039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.270039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.270039 (E_RNA)
where:
Base-Base interactions energy: -646.849
where: short stacking energy: -277.195
Base-Backbone interact. energy: -0.955
local terms energy: -277.465960
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -37.942
tors. eta vs tors. theta energy: -81.805
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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -893.300476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.300476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.300476 (E_RNA)
where:
Base-Base interactions energy: -611.930
where: short stacking energy: -263.607
Base-Backbone interact. energy: -1.361
local terms energy: -280.009575
where:
bonds (distance) C4'-P energy: -48.364
bonds (distance) P-C4' energy: -53.043
flat angles C4'-P-C4' energy: -51.604
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -79.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -858.343753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.343753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.343753 (E_RNA)
where:
Base-Base interactions energy: -588.071
where: short stacking energy: -270.273
Base-Backbone interact. energy: 0.897
local terms energy: -271.170053
where:
bonds (distance) C4'-P energy: -48.834
bonds (distance) P-C4' energy: -46.226
flat angles C4'-P-C4' energy: -61.634
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -78.385
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: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -834.703701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.703701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.703701 (E_RNA)
where:
Base-Base interactions energy: -577.086
where: short stacking energy: -248.743
Base-Backbone interact. energy: 0.468
local terms energy: -258.085329
where:
bonds (distance) C4'-P energy: -54.888
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -53.317
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -65.717
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: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -814.481197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.481197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.481197 (E_RNA)
where:
Base-Base interactions energy: -551.036
where: short stacking energy: -238.827
Base-Backbone interact. energy: -0.367
local terms energy: -263.078429
where:
bonds (distance) C4'-P energy: -43.055
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -34.660
tors. eta vs tors. theta energy: -73.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -759.020772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.020772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.020772 (E_RNA)
where:
Base-Base interactions energy: -527.915
where: short stacking energy: -212.975
Base-Backbone interact. energy: -0.733
local terms energy: -230.372044
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -55.352
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: -54.826
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: 317
Temperature: 1.250000
Total energy: -594.063365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.063365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.063365 (E_RNA)
where:
Base-Base interactions energy: -399.868
where: short stacking energy: -169.974
Base-Backbone interact. energy: 3.774
local terms energy: -197.969351
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -42.531
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -45.211
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: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -411.537831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.537831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.537831 (E_RNA)
where:
Base-Base interactions energy: -234.088
where: short stacking energy: -121.066
Base-Backbone interact. energy: -1.457
local terms energy: -175.992838
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -243.875293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.875293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.875293 (E_RNA)
where:
Base-Base interactions energy: -74.763
where: short stacking energy: -72.082
Base-Backbone interact. energy: -1.182
local terms energy: -167.930974
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -43.859
flat angles C4'-P-C4' energy: -47.179
flat angles P-C4'-P energy: -34.195
tors. eta vs tors. theta energy: 4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -960.366472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.366472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.366472 (E_RNA)
where:
Base-Base interactions energy: -669.890
where: short stacking energy: -294.262
Base-Backbone interact. energy: -0.840
local terms energy: -289.637078
where:
bonds (distance) C4'-P energy: -46.508
bonds (distance) P-C4' energy: -58.406
flat angles C4'-P-C4' energy: -56.282
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -90.508
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: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -922.422817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.422817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.422817 (E_RNA)
where:
Base-Base interactions energy: -642.607
where: short stacking energy: -274.731
Base-Backbone interact. energy: -0.338
local terms energy: -279.478204
where:
bonds (distance) C4'-P energy: -50.731
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -59.310
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: -81.820
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: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -880.558628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.558628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.558628 (E_RNA)
where:
Base-Base interactions energy: -622.153
where: short stacking energy: -257.667
Base-Backbone interact. energy: -1.788
local terms energy: -256.616953
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -68.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -859.228211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.228211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.228211 (E_RNA)
where:
Base-Base interactions energy: -586.530
where: short stacking energy: -274.851
Base-Backbone interact. energy: -0.278
local terms energy: -272.420493
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -49.155
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -78.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -820.096822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.096822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.096822 (E_RNA)
where:
Base-Base interactions energy: -559.656
where: short stacking energy: -235.755
Base-Backbone interact. energy: 0.464
local terms energy: -260.904531
where:
bonds (distance) C4'-P energy: -55.074
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -60.057
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -67.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -801.349070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.349070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.349070 (E_RNA)
where:
Base-Base interactions energy: -552.174
where: short stacking energy: -242.024
Base-Backbone interact. energy: -0.424
local terms energy: -248.750431
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -44.251
flat angles C4'-P-C4' energy: -57.018
flat angles P-C4'-P energy: -33.526
tors. eta vs tors. theta energy: -71.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -769.255378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.255378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.255378 (E_RNA)
where:
Base-Base interactions energy: -521.207
where: short stacking energy: -213.915
Base-Backbone interact. energy: -2.110
local terms energy: -245.938682
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -52.792
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -34.962
tors. eta vs tors. theta energy: -62.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -578.404247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.404247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.404247 (E_RNA)
where:
Base-Base interactions energy: -370.343
where: short stacking energy: -152.828
Base-Backbone interact. energy: -2.569
local terms energy: -205.492771
where:
bonds (distance) C4'-P energy: -46.015
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -28.399
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: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -423.157842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.157842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.157842 (E_RNA)
where:
Base-Base interactions energy: -244.434
where: short stacking energy: -113.812
Base-Backbone interact. energy: 0.690
local terms energy: -179.413470
where:
bonds (distance) C4'-P energy: -39.774
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -41.504
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -22.359
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: 318
Temperature: 1.350000
Total energy: -226.341946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.341946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.341946 (E_RNA)
where:
Base-Base interactions energy: -74.243
where: short stacking energy: -68.895
Base-Backbone interact. energy: -0.368
local terms energy: -151.731739
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -42.843
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -1.682
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: 319
Temperature: 0.900000
Total energy: -947.830516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.830516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.830516 (E_RNA)
where:
Base-Base interactions energy: -660.289
where: short stacking energy: -278.376
Base-Backbone interact. energy: -0.633
local terms energy: -286.908665
where:
bonds (distance) C4'-P energy: -49.805
bonds (distance) P-C4' energy: -49.124
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -87.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -937.884156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.884156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.884156 (E_RNA)
where:
Base-Base interactions energy: -631.701
where: short stacking energy: -287.094
Base-Backbone interact. energy: -0.845
local terms energy: -305.338323
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -61.691
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -90.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -892.436352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.436352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.436352 (E_RNA)
where:
Base-Base interactions energy: -622.554
where: short stacking energy: -264.893
Base-Backbone interact. energy: -1.373
local terms energy: -268.510177
where:
bonds (distance) C4'-P energy: -47.202
bonds (distance) P-C4' energy: -49.282
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -76.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -861.243578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.243578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.243578 (E_RNA)
where:
Base-Base interactions energy: -588.638
where: short stacking energy: -246.650
Base-Backbone interact. energy: -0.395
local terms energy: -272.210362
where:
bonds (distance) C4'-P energy: -49.292
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -79.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -811.645481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.645481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.645481 (E_RNA)
where:
Base-Base interactions energy: -552.085
where: short stacking energy: -234.204
Base-Backbone interact. energy: 0.473
local terms energy: -260.033288
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -50.577
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -39.385
tors. eta vs tors. theta energy: -68.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -817.518252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.518252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.518252 (E_RNA)
where:
Base-Base interactions energy: -570.517
where: short stacking energy: -238.242
Base-Backbone interact. energy: 0.397
local terms energy: -247.397747
where:
bonds (distance) C4'-P energy: -48.252
bonds (distance) P-C4' energy: -51.975
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -65.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -775.514689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.514689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.514689 (E_RNA)
where:
Base-Base interactions energy: -525.655
where: short stacking energy: -210.459
Base-Backbone interact. energy: -1.576
local terms energy: -248.283693
where:
bonds (distance) C4'-P energy: -52.838
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -53.076
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -58.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -555.999823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.999823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.999823 (E_RNA)
where:
Base-Base interactions energy: -343.942
where: short stacking energy: -161.297
Base-Backbone interact. energy: -1.747
local terms energy: -210.311099
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -55.117
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -33.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -456.973733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.973733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.973733 (E_RNA)
where:
Base-Base interactions energy: -271.847
where: short stacking energy: -134.571
Base-Backbone interact. energy: 0.654
local terms energy: -185.780630
where:
bonds (distance) C4'-P energy: -47.060
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -25.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -236.533729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.533729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.533729 (E_RNA)
where:
Base-Base interactions energy: -100.599
where: short stacking energy: -89.806
Base-Backbone interact. energy: -0.242
local terms energy: -135.692172
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -5.700
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: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -969.979222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.979222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.979222 (E_RNA)
where:
Base-Base interactions energy: -671.143
where: short stacking energy: -285.272
Base-Backbone interact. energy: -0.359
local terms energy: -298.477482
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -59.427
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -91.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -967.605608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.605608 (E_RNA)
where:
Base-Base interactions energy: -674.475
where: short stacking energy: -298.728
Base-Backbone interact. energy: -1.000
local terms energy: -292.130331
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -63.690
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: -91.102
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -901.267577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.267577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.267577 (E_RNA)
where:
Base-Base interactions energy: -625.801
where: short stacking energy: -269.635
Base-Backbone interact. energy: -0.930
local terms energy: -274.536220
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -53.414
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -44.248
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: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -850.210444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.210444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.210444 (E_RNA)
where:
Base-Base interactions energy: -574.856
where: short stacking energy: -247.517
Base-Backbone interact. energy: -0.770
local terms energy: -274.585227
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -48.433
flat angles C4'-P-C4' energy: -63.623
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -66.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -818.575447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.575447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.575447 (E_RNA)
where:
Base-Base interactions energy: -557.031
where: short stacking energy: -236.283
Base-Backbone interact. energy: -0.186
local terms energy: -261.358832
where:
bonds (distance) C4'-P energy: -56.216
bonds (distance) P-C4' energy: -52.232
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -23.990
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -797.413461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.413461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.413461 (E_RNA)
where:
Base-Base interactions energy: -542.218
where: short stacking energy: -237.621
Base-Backbone interact. energy: -0.163
local terms energy: -255.032624
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -52.288
flat angles C4'-P-C4' energy: -47.768
flat angles P-C4'-P energy: -32.484
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: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -768.277127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.277127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.277127 (E_RNA)
where:
Base-Base interactions energy: -530.563
where: short stacking energy: -228.582
Base-Backbone interact. energy: -1.417
local terms energy: -236.296562
where:
bonds (distance) C4'-P energy: -44.849
bonds (distance) P-C4' energy: -43.833
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -58.243
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -561.789228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.789228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.789228 (E_RNA)
where:
Base-Base interactions energy: -367.103
where: short stacking energy: -165.777
Base-Backbone interact. energy: 0.461
local terms energy: -195.146689
where:
bonds (distance) C4'-P energy: -37.685
bonds (distance) P-C4' energy: -39.181
flat angles C4'-P-C4' energy: -40.655
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -38.413
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: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -446.556257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.556257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.556257 (E_RNA)
where:
Base-Base interactions energy: -255.268
where: short stacking energy: -130.223
Base-Backbone interact. energy: 0.176
local terms energy: -191.463398
where:
bonds (distance) C4'-P energy: -58.682
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -27.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -228.457558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.457558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.457558 (E_RNA)
where:
Base-Base interactions energy: -84.737
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.896
local terms energy: -142.825421
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -9.893
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -965.896900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.896900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.896900 (E_RNA)
where:
Base-Base interactions energy: -667.782
where: short stacking energy: -289.409
Base-Backbone interact. energy: 0.205
local terms energy: -298.319790
where:
bonds (distance) C4'-P energy: -50.274
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -38.085
tors. eta vs tors. theta energy: -92.026
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: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -959.640514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.640514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.640514 (E_RNA)
where:
Base-Base interactions energy: -661.566
where: short stacking energy: -284.181
Base-Backbone interact. energy: -1.643
local terms energy: -296.431696
where:
bonds (distance) C4'-P energy: -47.209
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -66.047
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -92.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -894.488999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.488999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.488999 (E_RNA)
where:
Base-Base interactions energy: -621.837
where: short stacking energy: -263.441
Base-Backbone interact. energy: -0.636
local terms energy: -272.016091
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -34.180
tors. eta vs tors. theta energy: -74.662
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: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -850.849000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.849000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.849000 (E_RNA)
where:
Base-Base interactions energy: -594.420
where: short stacking energy: -274.612
Base-Backbone interact. energy: -0.147
local terms energy: -256.282299
where:
bonds (distance) C4'-P energy: -46.901
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -54.425
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -74.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -846.403249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.403249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.403249 (E_RNA)
where:
Base-Base interactions energy: -582.665
where: short stacking energy: -250.866
Base-Backbone interact. energy: -0.519
local terms energy: -263.218771
where:
bonds (distance) C4'-P energy: -46.479
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -45.354
tors. eta vs tors. theta energy: -68.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -779.289709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.289709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.289709 (E_RNA)
where:
Base-Base interactions energy: -527.071
where: short stacking energy: -241.772
Base-Backbone interact. energy: -0.136
local terms energy: -252.082673
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -57.121
flat angles P-C4'-P energy: -32.626
tors. eta vs tors. theta energy: -71.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -761.056164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.056164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.056164 (E_RNA)
where:
Base-Base interactions energy: -536.510
where: short stacking energy: -229.145
Base-Backbone interact. energy: -1.016
local terms energy: -223.530741
where:
bonds (distance) C4'-P energy: -41.340
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -39.049
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -646.385109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.385109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.385109 (E_RNA)
where:
Base-Base interactions energy: -430.469
where: short stacking energy: -187.192
Base-Backbone interact. energy: -0.192
local terms energy: -215.723477
where:
bonds (distance) C4'-P energy: -46.732
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -27.473
tors. eta vs tors. theta energy: -44.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -433.186142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.186142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.186142 (E_RNA)
where:
Base-Base interactions energy: -260.788
where: short stacking energy: -127.409
Base-Backbone interact. energy: -0.511
local terms energy: -171.887251
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -48.648
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -13.782
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: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -233.875685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.875685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.875685 (E_RNA)
where:
Base-Base interactions energy: -83.576
where: short stacking energy: -71.386
Base-Backbone interact. energy: -2.322
local terms energy: -147.977589
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -43.678
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -27.240
tors. eta vs tors. theta energy: 1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -971.551852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.551852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.551852 (E_RNA)
where:
Base-Base interactions energy: -671.507
where: short stacking energy: -277.769
Base-Backbone interact. energy: 1.752
local terms energy: -301.796532
where:
bonds (distance) C4'-P energy: -53.647
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -59.897
flat angles P-C4'-P energy: -43.026
tors. eta vs tors. theta energy: -91.835
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: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -956.096555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.096555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.096555 (E_RNA)
where:
Base-Base interactions energy: -650.970
where: short stacking energy: -283.323
Base-Backbone interact. energy: -0.773
local terms energy: -304.353218
where:
bonds (distance) C4'-P energy: -54.065
bonds (distance) P-C4' energy: -52.468
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -90.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -880.061158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.061158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.061158 (E_RNA)
where:
Base-Base interactions energy: -587.933
where: short stacking energy: -267.155
Base-Backbone interact. energy: -0.870
local terms energy: -291.257700
where:
bonds (distance) C4'-P energy: -47.651
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -63.201
flat angles P-C4'-P energy: -45.444
tors. eta vs tors. theta energy: -82.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -858.287702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.287702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.287702 (E_RNA)
where:
Base-Base interactions energy: -585.579
where: short stacking energy: -252.018
Base-Backbone interact. energy: 1.165
local terms energy: -273.873439
where:
bonds (distance) C4'-P energy: -37.983
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -61.806
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -75.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -819.183834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.183834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.183834 (E_RNA)
where:
Base-Base interactions energy: -564.656
where: short stacking energy: -250.460
Base-Backbone interact. energy: -0.214
local terms energy: -254.314102
where:
bonds (distance) C4'-P energy: -45.047
bonds (distance) P-C4' energy: -46.644
flat angles C4'-P-C4' energy: -63.392
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -69.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -765.927731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.927731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.927731 (E_RNA)
where:
Base-Base interactions energy: -520.689
where: short stacking energy: -233.483
Base-Backbone interact. energy: -0.594
local terms energy: -244.644508
where:
bonds (distance) C4'-P energy: -37.118
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -51.060
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -69.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -740.544996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.544996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.544996 (E_RNA)
where:
Base-Base interactions energy: -510.092
where: short stacking energy: -215.620
Base-Backbone interact. energy: 0.442
local terms energy: -230.895461
where:
bonds (distance) C4'-P energy: -35.957
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -64.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -754.051630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.051630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.051630 (E_RNA)
where:
Base-Base interactions energy: -521.730
where: short stacking energy: -211.539
Base-Backbone interact. energy: 0.716
local terms energy: -233.037006
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -52.298
flat angles C4'-P-C4' energy: -51.394
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -59.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -446.679900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.679900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.679900 (E_RNA)
where:
Base-Base interactions energy: -275.052
where: short stacking energy: -136.028
Base-Backbone interact. energy: -1.087
local terms energy: -170.541457
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -32.255
flat angles C4'-P-C4' energy: -43.783
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -253.046408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.046408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.046408 (E_RNA)
where:
Base-Base interactions energy: -103.572
where: short stacking energy: -92.360
Base-Backbone interact. energy: -0.828
local terms energy: -148.646648
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -965.850940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.850940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.850940 (E_RNA)
where:
Base-Base interactions energy: -675.077
where: short stacking energy: -288.363
Base-Backbone interact. energy: -0.074
local terms energy: -290.700091
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -52.496
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -89.827
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: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -951.326597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.326597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.326597 (E_RNA)
where:
Base-Base interactions energy: -666.423
where: short stacking energy: -289.397
Base-Backbone interact. energy: -1.598
local terms energy: -283.305941
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -43.746
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: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -886.996787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.996787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.996787 (E_RNA)
where:
Base-Base interactions energy: -589.228
where: short stacking energy: -266.618
Base-Backbone interact. energy: -0.130
local terms energy: -297.638369
where:
bonds (distance) C4'-P energy: -59.619
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -66.107
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -85.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -856.422090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.422090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.422090 (E_RNA)
where:
Base-Base interactions energy: -579.361
where: short stacking energy: -244.035
Base-Backbone interact. energy: -1.189
local terms energy: -275.872052
where:
bonds (distance) C4'-P energy: -50.063
bonds (distance) P-C4' energy: -52.982
flat angles C4'-P-C4' energy: -65.642
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -75.744
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: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -814.064867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.064867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.064867 (E_RNA)
where:
Base-Base interactions energy: -572.632
where: short stacking energy: -250.501
Base-Backbone interact. energy: 1.174
local terms energy: -242.606760
where:
bonds (distance) C4'-P energy: -36.385
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -52.180
flat angles P-C4'-P energy: -35.932
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: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -765.855123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.855123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.855123 (E_RNA)
where:
Base-Base interactions energy: -532.657
where: short stacking energy: -209.802
Base-Backbone interact. energy: -0.149
local terms energy: -233.048246
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -47.606
flat angles C4'-P-C4' energy: -53.425
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: -56.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -745.798663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.798663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.798663 (E_RNA)
where:
Base-Base interactions energy: -513.299
where: short stacking energy: -208.248
Base-Backbone interact. energy: 0.918
local terms energy: -233.418425
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -45.640
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -65.905
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: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -733.456103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.456103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.456103 (E_RNA)
where:
Base-Base interactions energy: -507.387
where: short stacking energy: -206.588
Base-Backbone interact. energy: 0.294
local terms energy: -226.363295
where:
bonds (distance) C4'-P energy: -41.085
bonds (distance) P-C4' energy: -49.299
flat angles C4'-P-C4' energy: -51.586
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -52.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -450.260920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.260920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.260920 (E_RNA)
where:
Base-Base interactions energy: -270.081
where: short stacking energy: -139.834
Base-Backbone interact. energy: -1.495
local terms energy: -178.684154
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -43.177
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -28.712
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: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -220.391589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.391589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.391589 (E_RNA)
where:
Base-Base interactions energy: -73.069
where: short stacking energy: -54.688
Base-Backbone interact. energy: 2.147
local terms energy: -149.470105
where:
bonds (distance) C4'-P energy: -47.859
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: 6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -966.975503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.975503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.975503 (E_RNA)
where:
Base-Base interactions energy: -658.486
where: short stacking energy: -284.235
Base-Backbone interact. energy: 0.575
local terms energy: -309.064727
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -60.554
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -92.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -953.566685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.566685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.566685 (E_RNA)
where:
Base-Base interactions energy: -657.888
where: short stacking energy: -266.028
Base-Backbone interact. energy: -1.097
local terms energy: -294.581382
where:
bonds (distance) C4'-P energy: -54.855
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -86.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -876.054451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.054451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.054451 (E_RNA)
where:
Base-Base interactions energy: -607.471
where: short stacking energy: -269.999
Base-Backbone interact. energy: -1.018
local terms energy: -267.565290
where:
bonds (distance) C4'-P energy: -54.443
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -58.220
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: -70.119
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: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -854.936447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.936447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.936447 (E_RNA)
where:
Base-Base interactions energy: -593.794
where: short stacking energy: -259.043
Base-Backbone interact. energy: -0.244
local terms energy: -260.898821
where:
bonds (distance) C4'-P energy: -44.482
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -76.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -809.184865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.184865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.184865 (E_RNA)
where:
Base-Base interactions energy: -559.127
where: short stacking energy: -245.208
Base-Backbone interact. energy: -1.082
local terms energy: -248.975275
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -69.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -773.981663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.981663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.981663 (E_RNA)
where:
Base-Base interactions energy: -524.137
where: short stacking energy: -225.690
Base-Backbone interact. energy: -0.748
local terms energy: -249.096518
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -54.924
flat angles P-C4'-P energy: -41.209
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -745.758811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.758811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.758811 (E_RNA)
where:
Base-Base interactions energy: -519.707
where: short stacking energy: -229.917
Base-Backbone interact. energy: -0.737
local terms energy: -225.314713
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -43.385
flat angles C4'-P-C4' energy: -43.689
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -63.149
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: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -739.119394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.119394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.119394 (E_RNA)
where:
Base-Base interactions energy: -513.272
where: short stacking energy: -204.311
Base-Backbone interact. energy: 0.233
local terms energy: -226.080278
where:
bonds (distance) C4'-P energy: -43.960
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -50.223
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -60.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -403.977536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.977536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.977536 (E_RNA)
where:
Base-Base interactions energy: -226.668
where: short stacking energy: -120.986
Base-Backbone interact. energy: 0.515
local terms energy: -177.825045
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -47.290
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -8.222
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: 324
Temperature: 1.350000
Total energy: -223.166876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.166876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.166876 (E_RNA)
where:
Base-Base interactions energy: -84.209
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.401
local terms energy: -138.556457
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -40.364
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -26.169
tors. eta vs tors. theta energy: -2.485
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: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -962.692653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.692653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.692653 (E_RNA)
where:
Base-Base interactions energy: -659.999
where: short stacking energy: -289.356
Base-Backbone interact. energy: -0.722
local terms energy: -301.971554
where:
bonds (distance) C4'-P energy: -52.398
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -61.617
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -91.019
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: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -914.926532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.926532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.926532 (E_RNA)
where:
Base-Base interactions energy: -641.380
where: short stacking energy: -272.766
Base-Backbone interact. energy: -1.172
local terms energy: -272.374341
where:
bonds (distance) C4'-P energy: -45.503
bonds (distance) P-C4' energy: -52.303
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -77.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -926.664689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.664689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.664689 (E_RNA)
where:
Base-Base interactions energy: -652.450
where: short stacking energy: -274.039
Base-Backbone interact. energy: 0.294
local terms energy: -274.508828
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -48.870
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -86.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -854.068602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.068602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.068602 (E_RNA)
where:
Base-Base interactions energy: -586.461
where: short stacking energy: -264.770
Base-Backbone interact. energy: -1.214
local terms energy: -266.394417
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -57.048
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -72.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -820.964031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.964031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.964031 (E_RNA)
where:
Base-Base interactions energy: -562.342
where: short stacking energy: -230.326
Base-Backbone interact. energy: 1.113
local terms energy: -259.735206
where:
bonds (distance) C4'-P energy: -40.371
bonds (distance) P-C4' energy: -56.383
flat angles C4'-P-C4' energy: -52.711
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -73.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -752.267451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.267451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.267451 (E_RNA)
where:
Base-Base interactions energy: -517.233
where: short stacking energy: -220.434
Base-Backbone interact. energy: -0.537
local terms energy: -234.497795
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -42.789
flat angles C4'-P-C4' energy: -47.090
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -63.627
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: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -737.961151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.961151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.961151 (E_RNA)
where:
Base-Base interactions energy: -505.752
where: short stacking energy: -204.589
Base-Backbone interact. energy: -1.055
local terms energy: -231.153928
where:
bonds (distance) C4'-P energy: -46.402
bonds (distance) P-C4' energy: -52.874
flat angles C4'-P-C4' energy: -45.684
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -53.651
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: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -740.085367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.085367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.085367 (E_RNA)
where:
Base-Base interactions energy: -516.000
where: short stacking energy: -205.827
Base-Backbone interact. energy: -1.133
local terms energy: -222.952202
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -40.007
flat angles C4'-P-C4' energy: -46.563
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -57.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -415.489318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.489318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.489318 (E_RNA)
where:
Base-Base interactions energy: -232.592
where: short stacking energy: -106.786
Base-Backbone interact. energy: -1.096
local terms energy: -181.801548
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -42.869
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -218.146687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.146687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.146687 (E_RNA)
where:
Base-Base interactions energy: -79.149
where: short stacking energy: -58.325
Base-Backbone interact. energy: 2.836
local terms energy: -141.834032
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -43.548
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: 7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -941.787525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.787525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.787525 (E_RNA)
where:
Base-Base interactions energy: -672.090
where: short stacking energy: -273.150
Base-Backbone interact. energy: 2.096
local terms energy: -271.793455
where:
bonds (distance) C4'-P energy: -41.584
bonds (distance) P-C4' energy: -43.808
flat angles C4'-P-C4' energy: -60.360
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -85.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -906.546621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.546621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.546621 (E_RNA)
where:
Base-Base interactions energy: -619.910
where: short stacking energy: -272.281
Base-Backbone interact. energy: -0.682
local terms energy: -285.954616
where:
bonds (distance) C4'-P energy: -54.323
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -78.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -918.985516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.985516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.985516 (E_RNA)
where:
Base-Base interactions energy: -643.703
where: short stacking energy: -281.235
Base-Backbone interact. energy: -0.653
local terms energy: -274.629339
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -53.712
flat angles C4'-P-C4' energy: -54.547
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -85.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -849.193547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.193547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.193547 (E_RNA)
where:
Base-Base interactions energy: -587.902
where: short stacking energy: -259.011
Base-Backbone interact. energy: 0.093
local terms energy: -261.385174
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -51.593
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -39.836
tors. eta vs tors. theta energy: -77.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -803.225993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.225993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.225993 (E_RNA)
where:
Base-Base interactions energy: -557.548
where: short stacking energy: -240.341
Base-Backbone interact. energy: 0.113
local terms energy: -245.791001
where:
bonds (distance) C4'-P energy: -39.426
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -53.614
flat angles P-C4'-P energy: -36.654
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: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -763.036903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.036903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.036903 (E_RNA)
where:
Base-Base interactions energy: -527.748
where: short stacking energy: -230.688
Base-Backbone interact. energy: 1.101
local terms energy: -236.389950
where:
bonds (distance) C4'-P energy: -55.698
bonds (distance) P-C4' energy: -36.569
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -60.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -813.426461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.426461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.426461 (E_RNA)
where:
Base-Base interactions energy: -544.666
where: short stacking energy: -234.651
Base-Backbone interact. energy: -0.384
local terms energy: -268.376920
where:
bonds (distance) C4'-P energy: -55.556
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -49.811
flat angles P-C4'-P energy: -36.064
tors. eta vs tors. theta energy: -75.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -739.309983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.309983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.309983 (E_RNA)
where:
Base-Base interactions energy: -502.559
where: short stacking energy: -207.004
Base-Backbone interact. energy: 1.212
local terms energy: -237.962236
where:
bonds (distance) C4'-P energy: -43.450
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -53.673
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -58.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -424.970092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.970092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.970092 (E_RNA)
where:
Base-Base interactions energy: -232.877
where: short stacking energy: -125.580
Base-Backbone interact. energy: 0.731
local terms energy: -192.824224
where:
bonds (distance) C4'-P energy: -46.288
bonds (distance) P-C4' energy: -43.736
flat angles C4'-P-C4' energy: -56.786
flat angles P-C4'-P energy: -30.515
tors. eta vs tors. theta energy: -15.499
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: 326
Temperature: 1.350000
Total energy: -250.159884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.159884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.159884 (E_RNA)
where:
Base-Base interactions energy: -80.192
where: short stacking energy: -78.938
Base-Backbone interact. energy: 0.084
local terms energy: -170.051736
where:
bonds (distance) C4'-P energy: -52.268
bonds (distance) P-C4' energy: -42.582
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -964.303411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.303411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.303411 (E_RNA)
where:
Base-Base interactions energy: -672.473
where: short stacking energy: -284.678
Base-Backbone interact. energy: 0.892
local terms energy: -292.722400
where:
bonds (distance) C4'-P energy: -54.459
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -55.998
flat angles P-C4'-P energy: -38.948
tors. eta vs tors. theta energy: -88.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -947.733104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.733104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.733104 (E_RNA)
where:
Base-Base interactions energy: -664.424
where: short stacking energy: -271.492
Base-Backbone interact. energy: 0.016
local terms energy: -283.325676
where:
bonds (distance) C4'-P energy: -52.266
bonds (distance) P-C4' energy: -47.859
flat angles C4'-P-C4' energy: -65.381
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: -84.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -882.656050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.656050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.656050 (E_RNA)
where:
Base-Base interactions energy: -604.409
where: short stacking energy: -247.625
Base-Backbone interact. energy: 0.053
local terms energy: -278.300324
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -52.391
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -75.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -837.879536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.879536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.879536 (E_RNA)
where:
Base-Base interactions energy: -575.068
where: short stacking energy: -268.775
Base-Backbone interact. energy: 0.706
local terms energy: -263.517612
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -57.189
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -72.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -836.157472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.157472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.157472 (E_RNA)
where:
Base-Base interactions energy: -573.231
where: short stacking energy: -248.982
Base-Backbone interact. energy: -0.603
local terms energy: -262.323668
where:
bonds (distance) C4'-P energy: -49.704
bonds (distance) P-C4' energy: -51.184
flat angles C4'-P-C4' energy: -53.775
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -64.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -777.953312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.953312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.953312 (E_RNA)
where:
Base-Base interactions energy: -542.248
where: short stacking energy: -233.461
Base-Backbone interact. energy: -0.096
local terms energy: -235.608625
where:
bonds (distance) C4'-P energy: -41.831
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -52.961
flat angles P-C4'-P energy: -26.164
tors. eta vs tors. theta energy: -65.694
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -752.607610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.607610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.607610 (E_RNA)
where:
Base-Base interactions energy: -519.925
where: short stacking energy: -219.783
Base-Backbone interact. energy: -0.714
local terms energy: -231.968561
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -50.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -718.534798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.534798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.534798 (E_RNA)
where:
Base-Base interactions energy: -495.109
where: short stacking energy: -202.269
Base-Backbone interact. energy: -3.229
local terms energy: -220.195945
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -42.759
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -53.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -408.730216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.730216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.730216 (E_RNA)
where:
Base-Base interactions energy: -218.146
where: short stacking energy: -109.788
Base-Backbone interact. energy: -0.516
local terms energy: -190.068574
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -49.182
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -20.108
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: 327
Temperature: 1.350000
Total energy: -242.922170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.922170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.922170 (E_RNA)
where:
Base-Base interactions energy: -82.628
where: short stacking energy: -70.460
Base-Backbone interact. energy: -0.707
local terms energy: -159.587337
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -52.615
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -968.542137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.542137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.542137 (E_RNA)
where:
Base-Base interactions energy: -679.347
where: short stacking energy: -294.199
Base-Backbone interact. energy: -1.480
local terms energy: -287.714648
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -52.163
flat angles C4'-P-C4' energy: -57.390
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: -90.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -951.252476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.252476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.252476 (E_RNA)
where:
Base-Base interactions energy: -664.075
where: short stacking energy: -278.781
Base-Backbone interact. energy: 0.439
local terms energy: -287.616058
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -43.065
tors. eta vs tors. theta energy: -87.329
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: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -896.813641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.813641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.813641 (E_RNA)
where:
Base-Base interactions energy: -611.727
where: short stacking energy: -264.563
Base-Backbone interact. energy: -0.835
local terms energy: -284.251858
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -47.052
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -82.606
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: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -842.206634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.206634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.206634 (E_RNA)
where:
Base-Base interactions energy: -579.646
where: short stacking energy: -247.234
Base-Backbone interact. energy: -0.489
local terms energy: -262.071304
where:
bonds (distance) C4'-P energy: -41.073
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -43.122
tors. eta vs tors. theta energy: -74.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -788.968071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.968071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.968071 (E_RNA)
where:
Base-Base interactions energy: -528.077
where: short stacking energy: -232.147
Base-Backbone interact. energy: -0.765
local terms energy: -260.125993
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -48.219
flat angles C4'-P-C4' energy: -55.034
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -65.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -802.626648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.626648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.626648 (E_RNA)
where:
Base-Base interactions energy: -546.007
where: short stacking energy: -224.100
Base-Backbone interact. energy: 1.073
local terms energy: -257.691811
where:
bonds (distance) C4'-P energy: -44.223
bonds (distance) P-C4' energy: -48.772
flat angles C4'-P-C4' energy: -58.701
flat angles P-C4'-P energy: -40.063
tors. eta vs tors. theta energy: -65.934
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: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -743.184850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.184850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.184850 (E_RNA)
where:
Base-Base interactions energy: -504.550
where: short stacking energy: -213.779
Base-Backbone interact. energy: -0.648
local terms energy: -237.986451
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -56.908
flat angles C4'-P-C4' energy: -54.867
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -53.130
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: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -713.680326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.680326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.680326 (E_RNA)
where:
Base-Base interactions energy: -481.784
where: short stacking energy: -202.933
Base-Backbone interact. energy: -0.813
local terms energy: -231.082673
where:
bonds (distance) C4'-P energy: -43.149
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -58.480
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -58.805
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: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -417.748206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.748206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.748206 (E_RNA)
where:
Base-Base interactions energy: -225.384
where: short stacking energy: -123.349
Base-Backbone interact. energy: -0.833
local terms energy: -191.531183
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -43.277
flat angles C4'-P-C4' energy: -46.459
flat angles P-C4'-P energy: -35.026
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -234.525333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.525333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.525333 (E_RNA)
where:
Base-Base interactions energy: -85.742
where: short stacking energy: -82.725
Base-Backbone interact. energy: 0.089
local terms energy: -148.872631
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -47.423
flat angles C4'-P-C4' energy: -42.118
flat angles P-C4'-P energy: -27.214
tors. eta vs tors. theta energy: 9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -972.013662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.013662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.013662 (E_RNA)
where:
Base-Base interactions energy: -679.121
where: short stacking energy: -289.761
Base-Backbone interact. energy: -1.438
local terms energy: -291.454677
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -46.845
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -46.088
tors. eta vs tors. theta energy: -84.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -955.321368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.321368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.321368 (E_RNA)
where:
Base-Base interactions energy: -649.418
where: short stacking energy: -287.108
Base-Backbone interact. energy: -0.292
local terms energy: -305.611036
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -57.472
flat angles C4'-P-C4' energy: -62.195
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -92.107
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -890.130734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.130734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.130734 (E_RNA)
where:
Base-Base interactions energy: -616.687
where: short stacking energy: -258.202
Base-Backbone interact. energy: -0.831
local terms energy: -272.612011
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -57.882
flat angles C4'-P-C4' energy: -50.914
flat angles P-C4'-P energy: -43.485
tors. eta vs tors. theta energy: -75.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -858.279889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.279889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.279889 (E_RNA)
where:
Base-Base interactions energy: -585.740
where: short stacking energy: -255.683
Base-Backbone interact. energy: 0.301
local terms energy: -272.840836
where:
bonds (distance) C4'-P energy: -54.127
bonds (distance) P-C4' energy: -46.562
flat angles C4'-P-C4' energy: -56.897
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -76.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -812.210875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.210875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.210875 (E_RNA)
where:
Base-Base interactions energy: -570.132
where: short stacking energy: -239.683
Base-Backbone interact. energy: -0.372
local terms energy: -241.707265
where:
bonds (distance) C4'-P energy: -46.240
bonds (distance) P-C4' energy: -46.576
flat angles C4'-P-C4' energy: -56.237
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -62.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -797.670892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.670892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.670892 (E_RNA)
where:
Base-Base interactions energy: -540.578
where: short stacking energy: -229.103
Base-Backbone interact. energy: -0.212
local terms energy: -256.880179
where:
bonds (distance) C4'-P energy: -53.757
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -68.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -781.012637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.012637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.012637 (E_RNA)
where:
Base-Base interactions energy: -542.502
where: short stacking energy: -227.082
Base-Backbone interact. energy: 2.146
local terms energy: -240.656555
where:
bonds (distance) C4'-P energy: -42.897
bonds (distance) P-C4' energy: -42.209
flat angles C4'-P-C4' energy: -55.079
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -65.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -696.631627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.631627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.631627 (E_RNA)
where:
Base-Base interactions energy: -490.156
where: short stacking energy: -194.676
Base-Backbone interact. energy: -1.520
local terms energy: -204.955510
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -44.825
flat angles C4'-P-C4' energy: -49.451
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -46.244
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: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -409.477837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.477837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.477837 (E_RNA)
where:
Base-Base interactions energy: -230.251
where: short stacking energy: -128.974
Base-Backbone interact. energy: -0.288
local terms energy: -178.938764
where:
bonds (distance) C4'-P energy: -43.118
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -226.887016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.887016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.887016 (E_RNA)
where:
Base-Base interactions energy: -82.190
where: short stacking energy: -62.679
Base-Backbone interact. energy: 1.498
local terms energy: -146.195257
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -49.452
flat angles C4'-P-C4' energy: -37.947
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -4.954
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: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -956.629783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.629783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.629783 (E_RNA)
where:
Base-Base interactions energy: -665.799
where: short stacking energy: -279.998
Base-Backbone interact. energy: -0.456
local terms energy: -290.374407
where:
bonds (distance) C4'-P energy: -55.397
bonds (distance) P-C4' energy: -48.542
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -86.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -952.562887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.562887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.562887 (E_RNA)
where:
Base-Base interactions energy: -659.628
where: short stacking energy: -282.532
Base-Backbone interact. energy: 0.025
local terms energy: -292.959311
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -60.124
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -88.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -874.874793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.874793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.874793 (E_RNA)
where:
Base-Base interactions energy: -589.092
where: short stacking energy: -261.232
Base-Backbone interact. energy: -0.516
local terms energy: -285.266609
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -59.658
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -80.483
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: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -886.192359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.192359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.192359 (E_RNA)
where:
Base-Base interactions energy: -603.393
where: short stacking energy: -255.571
Base-Backbone interact. energy: -0.904
local terms energy: -281.895421
where:
bonds (distance) C4'-P energy: -55.688
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -57.616
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -73.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -796.497974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.497974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.497974 (E_RNA)
where:
Base-Base interactions energy: -542.148
where: short stacking energy: -238.342
Base-Backbone interact. energy: 0.813
local terms energy: -255.163291
where:
bonds (distance) C4'-P energy: -49.989
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -56.563
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -65.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -768.280073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.280073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.280073 (E_RNA)
where:
Base-Base interactions energy: -531.960
where: short stacking energy: -214.812
Base-Backbone interact. energy: -0.971
local terms energy: -235.348957
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -49.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -768.503765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.503765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.503765 (E_RNA)
where:
Base-Base interactions energy: -535.983
where: short stacking energy: -221.555
Base-Backbone interact. energy: 1.479
local terms energy: -233.999843
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -48.706
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -65.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -720.582118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.582118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.582118 (E_RNA)
where:
Base-Base interactions energy: -493.606
where: short stacking energy: -209.857
Base-Backbone interact. energy: -0.403
local terms energy: -226.573011
where:
bonds (distance) C4'-P energy: -52.020
bonds (distance) P-C4' energy: -44.338
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -57.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -414.898542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.898542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.898542 (E_RNA)
where:
Base-Base interactions energy: -247.297
where: short stacking energy: -140.589
Base-Backbone interact. energy: -0.369
local terms energy: -167.232204
where:
bonds (distance) C4'-P energy: -40.070
bonds (distance) P-C4' energy: -40.088
flat angles C4'-P-C4' energy: -44.289
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -222.253381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.253381 (E_RNA)
where:
Base-Base interactions energy: -62.417
where: short stacking energy: -62.281
Base-Backbone interact. energy: 1.081
local terms energy: -160.917529
where:
bonds (distance) C4'-P energy: -41.595
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -977.149881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.149881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.149881 (E_RNA)
where:
Base-Base interactions energy: -672.157
where: short stacking energy: -291.038
Base-Backbone interact. energy: 0.315
local terms energy: -305.307928
where:
bonds (distance) C4'-P energy: -53.265
bonds (distance) P-C4' energy: -54.440
flat angles C4'-P-C4' energy: -60.997
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -88.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -969.188480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.188480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.188480 (E_RNA)
where:
Base-Base interactions energy: -662.420
where: short stacking energy: -292.218
Base-Backbone interact. energy: -1.361
local terms energy: -305.407289
where:
bonds (distance) C4'-P energy: -51.847
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -59.956
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -91.579
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: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -879.077769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.077769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.077769 (E_RNA)
where:
Base-Base interactions energy: -580.200
where: short stacking energy: -265.929
Base-Backbone interact. energy: -0.943
local terms energy: -297.934432
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -57.123
flat angles C4'-P-C4' energy: -64.561
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -79.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -894.768190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.768190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.768190 (E_RNA)
where:
Base-Base interactions energy: -619.032
where: short stacking energy: -264.100
Base-Backbone interact. energy: -0.878
local terms energy: -274.858429
where:
bonds (distance) C4'-P energy: -51.031
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -57.181
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -76.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -813.815755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.815755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.815755 (E_RNA)
where:
Base-Base interactions energy: -552.190
where: short stacking energy: -236.670
Base-Backbone interact. energy: 0.591
local terms energy: -262.217119
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -61.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -798.328334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.328334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.328334 (E_RNA)
where:
Base-Base interactions energy: -554.254
where: short stacking energy: -224.930
Base-Backbone interact. energy: -1.045
local terms energy: -243.029221
where:
bonds (distance) C4'-P energy: -51.988
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -45.445
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -66.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -768.948867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.948867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.948867 (E_RNA)
where:
Base-Base interactions energy: -553.301
where: short stacking energy: -213.588
Base-Backbone interact. energy: -0.987
local terms energy: -214.661407
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -41.883
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -54.764
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: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -732.391944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.391944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.391944 (E_RNA)
where:
Base-Base interactions energy: -505.599
where: short stacking energy: -209.253
Base-Backbone interact. energy: 0.224
local terms energy: -227.016806
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -38.571
flat angles C4'-P-C4' energy: -50.439
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -60.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -419.469425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.469425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.469425 (E_RNA)
where:
Base-Base interactions energy: -235.507
where: short stacking energy: -133.878
Base-Backbone interact. energy: 0.271
local terms energy: -184.233154
where:
bonds (distance) C4'-P energy: -44.879
bonds (distance) P-C4' energy: -58.088
flat angles C4'-P-C4' energy: -36.965
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -232.866746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.866746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.866746 (E_RNA)
where:
Base-Base interactions energy: -78.415
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.800
local terms energy: -153.652344
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -55.271
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: 1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -965.506205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.506205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.506205 (E_RNA)
where:
Base-Base interactions energy: -663.838
where: short stacking energy: -290.368
Base-Backbone interact. energy: -1.415
local terms energy: -300.253050
where:
bonds (distance) C4'-P energy: -55.807
bonds (distance) P-C4' energy: -50.234
flat angles C4'-P-C4' energy: -64.831
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -89.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -972.374910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.374910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.374910 (E_RNA)
where:
Base-Base interactions energy: -664.992
where: short stacking energy: -284.718
Base-Backbone interact. energy: -2.569
local terms energy: -304.814072
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -62.771
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -92.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -896.288974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.288974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.288974 (E_RNA)
where:
Base-Base interactions energy: -619.080
where: short stacking energy: -279.696
Base-Backbone interact. energy: -0.269
local terms energy: -276.939978
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -59.691
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -79.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -878.224658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.224658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.224658 (E_RNA)
where:
Base-Base interactions energy: -604.922
where: short stacking energy: -257.895
Base-Backbone interact. energy: -1.069
local terms energy: -272.233510
where:
bonds (distance) C4'-P energy: -49.813
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -49.628
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: -74.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -794.947475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.947475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.947475 (E_RNA)
where:
Base-Base interactions energy: -555.024
where: short stacking energy: -227.353
Base-Backbone interact. energy: -0.492
local terms energy: -239.432262
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -46.906
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -68.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -792.535835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.535835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.535835 (E_RNA)
where:
Base-Base interactions energy: -542.649
where: short stacking energy: -232.455
Base-Backbone interact. energy: -0.747
local terms energy: -249.140001
where:
bonds (distance) C4'-P energy: -38.927
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -54.192
flat angles P-C4'-P energy: -47.480
tors. eta vs tors. theta energy: -68.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -750.765120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.765120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.765120 (E_RNA)
where:
Base-Base interactions energy: -521.970
where: short stacking energy: -217.316
Base-Backbone interact. energy: 1.703
local terms energy: -230.497997
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -60.092
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: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -713.210496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.210496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.210496 (E_RNA)
where:
Base-Base interactions energy: -477.883
where: short stacking energy: -198.052
Base-Backbone interact. energy: -0.108
local terms energy: -235.219273
where:
bonds (distance) C4'-P energy: -43.861
bonds (distance) P-C4' energy: -50.302
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -50.927
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: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -400.268922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.268922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.268922 (E_RNA)
where:
Base-Base interactions energy: -221.056
where: short stacking energy: -128.312
Base-Backbone interact. energy: 1.805
local terms energy: -181.017968
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -43.449
flat angles C4'-P-C4' energy: -45.649
flat angles P-C4'-P energy: -25.800
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -249.545407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.545407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.545407 (E_RNA)
where:
Base-Base interactions energy: -75.685
where: short stacking energy: -66.971
Base-Backbone interact. energy: -0.072
local terms energy: -173.788458
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -51.985
flat angles C4'-P-C4' energy: -44.433
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: 0.182
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: 333
Temperature: 0.900000
Total energy: -987.188069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.188069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.188069 (E_RNA)
where:
Base-Base interactions energy: -682.699
where: short stacking energy: -294.653
Base-Backbone interact. energy: 4.612
local terms energy: -309.100777
where:
bonds (distance) C4'-P energy: -56.995
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -61.671
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -90.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -945.170339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.170339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.170339 (E_RNA)
where:
Base-Base interactions energy: -648.827
where: short stacking energy: -275.523
Base-Backbone interact. energy: -1.099
local terms energy: -295.244898
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -60.365
flat angles P-C4'-P energy: -42.863
tors. eta vs tors. theta energy: -85.462
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -881.847510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.847510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.847510 (E_RNA)
where:
Base-Base interactions energy: -594.526
where: short stacking energy: -278.330
Base-Backbone interact. energy: -0.164
local terms energy: -287.157485
where:
bonds (distance) C4'-P energy: -51.589
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -57.658
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -81.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -875.072104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.072104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.072104 (E_RNA)
where:
Base-Base interactions energy: -599.241
where: short stacking energy: -254.251
Base-Backbone interact. energy: -0.752
local terms energy: -275.078810
where:
bonds (distance) C4'-P energy: -50.055
bonds (distance) P-C4' energy: -51.606
flat angles C4'-P-C4' energy: -63.372
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -68.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -810.456629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.456629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.456629 (E_RNA)
where:
Base-Base interactions energy: -557.608
where: short stacking energy: -227.618
Base-Backbone interact. energy: 0.439
local terms energy: -253.287890
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -71.242
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: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -799.425224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.425224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.425224 (E_RNA)
where:
Base-Base interactions energy: -551.011
where: short stacking energy: -234.443
Base-Backbone interact. energy: 2.449
local terms energy: -250.863328
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -63.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -798.106584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.106584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.106584 (E_RNA)
where:
Base-Base interactions energy: -554.192
where: short stacking energy: -221.038
Base-Backbone interact. energy: -1.304
local terms energy: -242.610707
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -38.424
tors. eta vs tors. theta energy: -60.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -749.474212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.474212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.474212 (E_RNA)
where:
Base-Base interactions energy: -524.454
where: short stacking energy: -231.603
Base-Backbone interact. energy: -0.825
local terms energy: -224.194945
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -35.305
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -70.981
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: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -384.803905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.803905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.803905 (E_RNA)
where:
Base-Base interactions energy: -224.093
where: short stacking energy: -130.129
Base-Backbone interact. energy: -0.986
local terms energy: -159.725295
where:
bonds (distance) C4'-P energy: -38.510
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -26.959
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -24.679
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: 333
Temperature: 1.350000
Total energy: -219.582152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.582152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.582152 (E_RNA)
where:
Base-Base interactions energy: -80.141
where: short stacking energy: -63.145
Base-Backbone interact. energy: -0.362
local terms energy: -139.079238
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -39.891
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: 2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -965.502732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.502732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.502732 (E_RNA)
where:
Base-Base interactions energy: -662.019
where: short stacking energy: -291.346
Base-Backbone interact. energy: -1.057
local terms energy: -302.427439
where:
bonds (distance) C4'-P energy: -58.329
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -89.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -927.779811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.779811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.779811 (E_RNA)
where:
Base-Base interactions energy: -642.623
where: short stacking energy: -273.829
Base-Backbone interact. energy: -0.457
local terms energy: -284.699681
where:
bonds (distance) C4'-P energy: -41.373
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -64.383
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -85.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -882.130801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.130801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.130801 (E_RNA)
where:
Base-Base interactions energy: -599.345
where: short stacking energy: -260.764
Base-Backbone interact. energy: -0.280
local terms energy: -282.505181
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -49.507
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -75.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -874.101938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.101938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.101938 (E_RNA)
where:
Base-Base interactions energy: -609.084
where: short stacking energy: -261.886
Base-Backbone interact. energy: -0.881
local terms energy: -264.136694
where:
bonds (distance) C4'-P energy: -47.947
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -54.094
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -77.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -827.418491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.418491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.418491 (E_RNA)
where:
Base-Base interactions energy: -585.455
where: short stacking energy: -252.103
Base-Backbone interact. energy: -1.024
local terms energy: -240.939391
where:
bonds (distance) C4'-P energy: -32.774
bonds (distance) P-C4' energy: -50.708
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -64.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -765.425328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.425328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.425328 (E_RNA)
where:
Base-Base interactions energy: -536.874
where: short stacking energy: -222.143
Base-Backbone interact. energy: -0.546
local terms energy: -228.005291
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -49.761
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -59.458
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: 334
Temperature: 1.200000
Total energy: -760.570909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.570909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.570909 (E_RNA)
where:
Base-Base interactions energy: -507.458
where: short stacking energy: -199.606
Base-Backbone interact. energy: 1.616
local terms energy: -254.729349
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -61.157
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -64.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -750.923105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.923105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.923105 (E_RNA)
where:
Base-Base interactions energy: -510.981
where: short stacking energy: -217.228
Base-Backbone interact. energy: -0.584
local terms energy: -239.358227
where:
bonds (distance) C4'-P energy: -44.706
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -58.814
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: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -417.695877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.695877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.695877 (E_RNA)
where:
Base-Base interactions energy: -227.387
where: short stacking energy: -114.958
Base-Backbone interact. energy: -0.695
local terms energy: -189.613853
where:
bonds (distance) C4'-P energy: -43.474
bonds (distance) P-C4' energy: -57.333
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -31.733
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -223.284608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.284608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.284608 (E_RNA)
where:
Base-Base interactions energy: -88.233
where: short stacking energy: -64.876
Base-Backbone interact. energy: 0.718
local terms energy: -135.769626
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: 8.702
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -989.623200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.623200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.623200 (E_RNA)
where:
Base-Base interactions energy: -684.916
where: short stacking energy: -289.634
Base-Backbone interact. energy: -0.975
local terms energy: -303.731827
where:
bonds (distance) C4'-P energy: -55.739
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -93.659
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: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -927.947791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.947791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.947791 (E_RNA)
where:
Base-Base interactions energy: -636.938
where: short stacking energy: -277.878
Base-Backbone interact. energy: -0.936
local terms energy: -290.073561
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -49.249
flat angles C4'-P-C4' energy: -61.785
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: -86.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -868.391270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.391270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.391270 (E_RNA)
where:
Base-Base interactions energy: -594.911
where: short stacking energy: -262.125
Base-Backbone interact. energy: 0.004
local terms energy: -273.483378
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -58.329
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -74.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -870.497242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.497242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.497242 (E_RNA)
where:
Base-Base interactions energy: -611.318
where: short stacking energy: -257.149
Base-Backbone interact. energy: -1.460
local terms energy: -257.719581
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -50.512
flat angles C4'-P-C4' energy: -57.695
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -73.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -807.809213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.809213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.809213 (E_RNA)
where:
Base-Base interactions energy: -557.916
where: short stacking energy: -256.313
Base-Backbone interact. energy: -0.560
local terms energy: -249.332861
where:
bonds (distance) C4'-P energy: -45.458
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -56.010
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -70.203
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: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -783.043992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.043992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.043992 (E_RNA)
where:
Base-Base interactions energy: -545.856
where: short stacking energy: -231.425
Base-Backbone interact. energy: -0.531
local terms energy: -236.656697
where:
bonds (distance) C4'-P energy: -47.689
bonds (distance) P-C4' energy: -37.907
flat angles C4'-P-C4' energy: -59.599
flat angles P-C4'-P energy: -29.837
tors. eta vs tors. theta energy: -61.625
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: 335
Temperature: 1.200000
Total energy: -757.481840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.481840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.481840 (E_RNA)
where:
Base-Base interactions energy: -512.456
where: short stacking energy: -230.636
Base-Backbone interact. energy: 0.540
local terms energy: -245.566367
where:
bonds (distance) C4'-P energy: -46.609
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -55.005
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -61.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -729.314515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.314515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.314515 (E_RNA)
where:
Base-Base interactions energy: -502.495
where: short stacking energy: -209.715
Base-Backbone interact. energy: 1.681
local terms energy: -228.501310
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -49.888
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -58.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -424.170737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.170737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.170737 (E_RNA)
where:
Base-Base interactions energy: -235.274
where: short stacking energy: -114.006
Base-Backbone interact. energy: -1.402
local terms energy: -187.495498
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -48.688
flat angles C4'-P-C4' energy: -43.518
flat angles P-C4'-P energy: -30.152
tors. eta vs tors. theta energy: -15.596
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: 335
Temperature: 1.350000
Total energy: -215.723482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.723482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.723482 (E_RNA)
where:
Base-Base interactions energy: -69.603
where: short stacking energy: -65.986
Base-Backbone interact. energy: 0.245
local terms energy: -146.365576
where:
bonds (distance) C4'-P energy: -49.305
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -41.496
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: 5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -955.706282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.706282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.706282 (E_RNA)
where:
Base-Base interactions energy: -668.414
where: short stacking energy: -280.584
Base-Backbone interact. energy: -0.952
local terms energy: -286.339863
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -64.411
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -94.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -954.385309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.385309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.385309 (E_RNA)
where:
Base-Base interactions energy: -647.403
where: short stacking energy: -285.444
Base-Backbone interact. energy: -0.913
local terms energy: -306.069497
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -61.492
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: -90.010
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -893.505259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.505259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.505259 (E_RNA)
where:
Base-Base interactions energy: -622.062
where: short stacking energy: -261.845
Base-Backbone interact. energy: -1.480
local terms energy: -269.962508
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -55.594
flat angles C4'-P-C4' energy: -57.752
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: -73.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -849.978292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.978292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.978292 (E_RNA)
where:
Base-Base interactions energy: -585.524
where: short stacking energy: -267.686
Base-Backbone interact. energy: -0.930
local terms energy: -263.524284
where:
bonds (distance) C4'-P energy: -45.620
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -50.557
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -81.004
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: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -804.523609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.523609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.523609 (E_RNA)
where:
Base-Base interactions energy: -559.558
where: short stacking energy: -237.333
Base-Backbone interact. energy: -0.992
local terms energy: -243.973358
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -60.026
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -64.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -800.247217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.247217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.247217 (E_RNA)
where:
Base-Base interactions energy: -560.702
where: short stacking energy: -226.106
Base-Backbone interact. energy: -1.907
local terms energy: -237.638267
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -66.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -751.258246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.258246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.258246 (E_RNA)
where:
Base-Base interactions energy: -516.533
where: short stacking energy: -226.903
Base-Backbone interact. energy: 0.186
local terms energy: -234.911180
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -53.967
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -724.067117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.067117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.067117 (E_RNA)
where:
Base-Base interactions energy: -486.974
where: short stacking energy: -199.591
Base-Backbone interact. energy: 1.534
local terms energy: -238.626447
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -48.262
flat angles C4'-P-C4' energy: -53.665
flat angles P-C4'-P energy: -37.818
tors. eta vs tors. theta energy: -55.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -242.786057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.786057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.786057 (E_RNA)
where:
Base-Base interactions energy: -89.331
where: short stacking energy: -75.637
Base-Backbone interact. energy: -1.553
local terms energy: -151.902586
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: 4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -401.509880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.509880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.509880 (E_RNA)
where:
Base-Base interactions energy: -217.654
where: short stacking energy: -101.509
Base-Backbone interact. energy: 0.113
local terms energy: -183.969360
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -39.187
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -971.678592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.678592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.678592 (E_RNA)
where:
Base-Base interactions energy: -664.085
where: short stacking energy: -282.667
Base-Backbone interact. energy: -0.769
local terms energy: -306.824419
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -88.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -964.285629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.285629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.285629 (E_RNA)
where:
Base-Base interactions energy: -663.293
where: short stacking energy: -279.945
Base-Backbone interact. energy: -1.018
local terms energy: -299.974953
where:
bonds (distance) C4'-P energy: -56.063
bonds (distance) P-C4' energy: -51.542
flat angles C4'-P-C4' energy: -60.332
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -90.134
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: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -894.817414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.817414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.817414 (E_RNA)
where:
Base-Base interactions energy: -613.786
where: short stacking energy: -274.353
Base-Backbone interact. energy: 0.353
local terms energy: -281.384516
where:
bonds (distance) C4'-P energy: -43.608
bonds (distance) P-C4' energy: -55.666
flat angles C4'-P-C4' energy: -58.601
flat angles P-C4'-P energy: -43.916
tors. eta vs tors. theta energy: -79.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -834.878974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.878974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.878974 (E_RNA)
where:
Base-Base interactions energy: -570.728
where: short stacking energy: -250.311
Base-Backbone interact. energy: -0.331
local terms energy: -263.819665
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -58.383
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -74.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -834.459121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.459121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.459121 (E_RNA)
where:
Base-Base interactions energy: -572.242
where: short stacking energy: -242.001
Base-Backbone interact. energy: -1.373
local terms energy: -260.843873
where:
bonds (distance) C4'-P energy: -48.088
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -76.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -777.828838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.828838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.828838 (E_RNA)
where:
Base-Base interactions energy: -526.051
where: short stacking energy: -220.308
Base-Backbone interact. energy: -0.304
local terms energy: -251.473914
where:
bonds (distance) C4'-P energy: -55.961
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -55.793
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -59.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -734.341959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.341959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.341959 (E_RNA)
where:
Base-Base interactions energy: -501.732
where: short stacking energy: -199.411
Base-Backbone interact. energy: -0.895
local terms energy: -231.715178
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -29.102
tors. eta vs tors. theta energy: -57.312
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: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -734.433109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.433109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.433109 (E_RNA)
where:
Base-Base interactions energy: -494.345
where: short stacking energy: -210.426
Base-Backbone interact. energy: -1.158
local terms energy: -238.929655
where:
bonds (distance) C4'-P energy: -50.009
bonds (distance) P-C4' energy: -43.575
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -246.868228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.868228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.868228 (E_RNA)
where:
Base-Base interactions energy: -105.459
where: short stacking energy: -71.316
Base-Backbone interact. energy: 2.230
local terms energy: -143.639611
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -51.898
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: 0.448
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: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -396.778956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.778956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.778956 (E_RNA)
where:
Base-Base interactions energy: -234.733
where: short stacking energy: -119.748
Base-Backbone interact. energy: -0.849
local terms energy: -161.197592
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -51.312
flat angles C4'-P-C4' energy: -48.163
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -963.582134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.582134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.582134 (E_RNA)
where:
Base-Base interactions energy: -663.428
where: short stacking energy: -280.371
Base-Backbone interact. energy: -0.742
local terms energy: -299.411843
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -54.231
flat angles C4'-P-C4' energy: -64.226
flat angles P-C4'-P energy: -48.569
tors. eta vs tors. theta energy: -85.608
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: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -961.154495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.154495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.154495 (E_RNA)
where:
Base-Base interactions energy: -672.876
where: short stacking energy: -289.657
Base-Backbone interact. energy: -1.360
local terms energy: -286.918608
where:
bonds (distance) C4'-P energy: -47.099
bonds (distance) P-C4' energy: -43.805
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -43.304
tors. eta vs tors. theta energy: -90.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -885.895918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.895918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.895918 (E_RNA)
where:
Base-Base interactions energy: -590.512
where: short stacking energy: -269.071
Base-Backbone interact. energy: 0.376
local terms energy: -295.760652
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -64.383
flat angles P-C4'-P energy: -44.046
tors. eta vs tors. theta energy: -83.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -842.503736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.503736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.503736 (E_RNA)
where:
Base-Base interactions energy: -571.387
where: short stacking energy: -263.140
Base-Backbone interact. energy: -0.411
local terms energy: -270.705184
where:
bonds (distance) C4'-P energy: -49.221
bonds (distance) P-C4' energy: -50.776
flat angles C4'-P-C4' energy: -52.437
flat angles P-C4'-P energy: -42.911
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: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -822.572393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.572393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.572393 (E_RNA)
where:
Base-Base interactions energy: -567.277
where: short stacking energy: -244.627
Base-Backbone interact. energy: 0.602
local terms energy: -255.897347
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -29.123
tors. eta vs tors. theta energy: -72.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -791.123439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.123439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.123439 (E_RNA)
where:
Base-Base interactions energy: -549.974
where: short stacking energy: -256.145
Base-Backbone interact. energy: -0.270
local terms energy: -240.878731
where:
bonds (distance) C4'-P energy: -41.981
bonds (distance) P-C4' energy: -41.442
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -71.967
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: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -752.881393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.881393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.881393 (E_RNA)
where:
Base-Base interactions energy: -515.554
where: short stacking energy: -223.977
Base-Backbone interact. energy: -1.451
local terms energy: -235.876176
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -36.964
flat angles C4'-P-C4' energy: -50.867
flat angles P-C4'-P energy: -35.984
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -671.497846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.497846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.497846 (E_RNA)
where:
Base-Base interactions energy: -472.844
where: short stacking energy: -193.460
Base-Backbone interact. energy: -0.862
local terms energy: -197.791002
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -42.281
flat angles C4'-P-C4' energy: -52.449
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -44.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -453.733814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.733814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.733814 (E_RNA)
where:
Base-Base interactions energy: -293.492
where: short stacking energy: -129.744
Base-Backbone interact. energy: 1.291
local terms energy: -161.532694
where:
bonds (distance) C4'-P energy: -34.557
bonds (distance) P-C4' energy: -37.479
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -24.863
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: 338
Temperature: 1.350000
Total energy: -239.811819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.811819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.811819 (E_RNA)
where:
Base-Base interactions energy: -90.286
where: short stacking energy: -69.265
Base-Backbone interact. energy: 3.127
local terms energy: -152.652884
where:
bonds (distance) C4'-P energy: -35.257
bonds (distance) P-C4' energy: -48.575
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: -6.299
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: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -949.529574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.529574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.529574 (E_RNA)
where:
Base-Base interactions energy: -646.034
where: short stacking energy: -261.090
Base-Backbone interact. energy: -1.194
local terms energy: -302.300845
where:
bonds (distance) C4'-P energy: -55.597
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -66.604
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -82.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -957.697022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.697022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.697022 (E_RNA)
where:
Base-Base interactions energy: -664.752
where: short stacking energy: -287.186
Base-Backbone interact. energy: 2.164
local terms energy: -295.109034
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -48.724
flat angles C4'-P-C4' energy: -62.476
flat angles P-C4'-P energy: -40.050
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: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -885.666401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.666401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.666401 (E_RNA)
where:
Base-Base interactions energy: -599.666
where: short stacking energy: -268.345
Base-Backbone interact. energy: -0.040
local terms energy: -285.960248
where:
bonds (distance) C4'-P energy: -55.410
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -57.806
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -82.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -829.047489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.047489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.047489 (E_RNA)
where:
Base-Base interactions energy: -583.857
where: short stacking energy: -253.066
Base-Backbone interact. energy: 0.608
local terms energy: -245.798005
where:
bonds (distance) C4'-P energy: -48.617
bonds (distance) P-C4' energy: -39.852
flat angles C4'-P-C4' energy: -45.657
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -75.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -822.473189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.473189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.473189 (E_RNA)
where:
Base-Base interactions energy: -557.284
where: short stacking energy: -235.487
Base-Backbone interact. energy: 1.524
local terms energy: -266.713262
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -59.080
flat angles C4'-P-C4' energy: -49.925
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -73.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -794.410118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.410118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.410118 (E_RNA)
where:
Base-Base interactions energy: -551.305
where: short stacking energy: -238.928
Base-Backbone interact. energy: 1.053
local terms energy: -244.157697
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -41.606
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -28.715
tors. eta vs tors. theta energy: -71.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -754.797975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.797975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.797975 (E_RNA)
where:
Base-Base interactions energy: -524.049
where: short stacking energy: -222.970
Base-Backbone interact. energy: -0.556
local terms energy: -230.193806
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -50.913
flat angles C4'-P-C4' energy: -47.369
flat angles P-C4'-P energy: -30.256
tors. eta vs tors. theta energy: -58.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -675.600702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.600702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.600702 (E_RNA)
where:
Base-Base interactions energy: -466.193
where: short stacking energy: -185.283
Base-Backbone interact. energy: -0.463
local terms energy: -208.944437
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -44.167
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: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -444.882574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.882574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.882574 (E_RNA)
where:
Base-Base interactions energy: -276.238
where: short stacking energy: -127.460
Base-Backbone interact. energy: 1.121
local terms energy: -169.765523
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -216.492626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.492626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.492626 (E_RNA)
where:
Base-Base interactions energy: -69.741
where: short stacking energy: -45.583
Base-Backbone interact. energy: 2.033
local terms energy: -148.783913
where:
bonds (distance) C4'-P energy: -50.125
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: 7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -963.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.834013 (E_RNA)
where:
Base-Base interactions energy: -679.864
where: short stacking energy: -290.807
Base-Backbone interact. energy: -1.422
local terms energy: -282.548081
where:
bonds (distance) C4'-P energy: -43.003
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -59.785
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -82.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -943.036147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.036147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.036147 (E_RNA)
where:
Base-Base interactions energy: -650.452
where: short stacking energy: -271.492
Base-Backbone interact. energy: -1.783
local terms energy: -290.801442
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -55.637
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -76.705
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: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -883.413511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.413511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.413511 (E_RNA)
where:
Base-Base interactions energy: -607.730
where: short stacking energy: -271.165
Base-Backbone interact. energy: -0.614
local terms energy: -275.069445
where:
bonds (distance) C4'-P energy: -42.748
bonds (distance) P-C4' energy: -50.610
flat angles C4'-P-C4' energy: -52.459
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: -84.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -841.657671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.657671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.657671 (E_RNA)
where:
Base-Base interactions energy: -593.100
where: short stacking energy: -253.702
Base-Backbone interact. energy: -1.691
local terms energy: -246.866786
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -50.422
flat angles C4'-P-C4' energy: -45.571
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: -70.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -821.937311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.937311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.937311 (E_RNA)
where:
Base-Base interactions energy: -553.370
where: short stacking energy: -235.501
Base-Backbone interact. energy: -1.412
local terms energy: -267.155015
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -48.668
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -71.728
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: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -787.893230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.893230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.893230 (E_RNA)
where:
Base-Base interactions energy: -543.438
where: short stacking energy: -217.014
Base-Backbone interact. energy: -0.199
local terms energy: -244.256157
where:
bonds (distance) C4'-P energy: -46.081
bonds (distance) P-C4' energy: -48.773
flat angles C4'-P-C4' energy: -50.704
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -62.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -769.218898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.218898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.218898 (E_RNA)
where:
Base-Base interactions energy: -547.394
where: short stacking energy: -224.287
Base-Backbone interact. energy: 1.919
local terms energy: -223.744119
where:
bonds (distance) C4'-P energy: -37.966
bonds (distance) P-C4' energy: -42.978
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -55.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -708.444326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.444326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.444326 (E_RNA)
where:
Base-Base interactions energy: -480.174
where: short stacking energy: -207.395
Base-Backbone interact. energy: -1.322
local terms energy: -226.948329
where:
bonds (distance) C4'-P energy: -47.048
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -52.954
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -51.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -454.845662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.845662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.845662 (E_RNA)
where:
Base-Base interactions energy: -279.764
where: short stacking energy: -130.531
Base-Backbone interact. energy: -0.298
local terms energy: -174.783999
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -49.236
flat angles C4'-P-C4' energy: -41.322
flat angles P-C4'-P energy: -37.475
tors. eta vs tors. theta energy: -18.741
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: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -233.650382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.650382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.650382 (E_RNA)
where:
Base-Base interactions energy: -86.774
where: short stacking energy: -74.322
Base-Backbone interact. energy: 3.014
local terms energy: -149.890303
where:
bonds (distance) C4'-P energy: -44.676
bonds (distance) P-C4' energy: -50.131
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: 2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -970.482803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.482803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.482803 (E_RNA)
where:
Base-Base interactions energy: -687.870
where: short stacking energy: -304.915
Base-Backbone interact. energy: 1.210
local terms energy: -283.822571
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -36.907
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: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -925.449781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.449781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.449781 (E_RNA)
where:
Base-Base interactions energy: -645.633
where: short stacking energy: -263.497
Base-Backbone interact. energy: -1.076
local terms energy: -278.740644
where:
bonds (distance) C4'-P energy: -53.467
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -52.811
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: -81.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -873.991034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.991034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.991034 (E_RNA)
where:
Base-Base interactions energy: -600.768
where: short stacking energy: -260.835
Base-Backbone interact. energy: -0.309
local terms energy: -272.914111
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -52.730
flat angles C4'-P-C4' energy: -60.892
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -74.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -846.297362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.297362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.297362 (E_RNA)
where:
Base-Base interactions energy: -576.516
where: short stacking energy: -238.999
Base-Backbone interact. energy: -0.462
local terms energy: -269.319409
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -52.745
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -62.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -811.196437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.196437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.196437 (E_RNA)
where:
Base-Base interactions energy: -560.645
where: short stacking energy: -248.789
Base-Backbone interact. energy: -0.174
local terms energy: -250.378061
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -38.378
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: -74.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -824.639519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.639519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.639519 (E_RNA)
where:
Base-Base interactions energy: -574.815
where: short stacking energy: -253.515
Base-Backbone interact. energy: -0.462
local terms energy: -249.363183
where:
bonds (distance) C4'-P energy: -40.246
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -71.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -735.000574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.000574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.000574 (E_RNA)
where:
Base-Base interactions energy: -500.921
where: short stacking energy: -211.838
Base-Backbone interact. energy: -1.008
local terms energy: -233.071650
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -48.823
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -62.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -663.251708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.251708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.251708 (E_RNA)
where:
Base-Base interactions energy: -453.008
where: short stacking energy: -191.223
Base-Backbone interact. energy: -0.263
local terms energy: -209.980931
where:
bonds (distance) C4'-P energy: -37.766
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -48.046
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: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -507.238788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.238788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.238788 (E_RNA)
where:
Base-Base interactions energy: -306.590
where: short stacking energy: -146.699
Base-Backbone interact. energy: -1.929
local terms energy: -198.719177
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -52.334
flat angles C4'-P-C4' energy: -44.057
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -29.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -226.957312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.957312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.957312 (E_RNA)
where:
Base-Base interactions energy: -76.417
where: short stacking energy: -62.167
Base-Backbone interact. energy: -1.076
local terms energy: -149.464352
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -47.825
flat angles C4'-P-C4' energy: -44.059
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: 10.153
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: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -981.599602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.599602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.599602 (E_RNA)
where:
Base-Base interactions energy: -689.550
where: short stacking energy: -283.808
Base-Backbone interact. energy: -0.580
local terms energy: -291.470390
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -50.060
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -84.582
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: 342
Temperature: 0.950000
Total energy: -938.041669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.041669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.041669 (E_RNA)
where:
Base-Base interactions energy: -646.129
where: short stacking energy: -283.284
Base-Backbone interact. energy: -0.400
local terms energy: -291.512808
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -59.765
flat angles P-C4'-P energy: -37.670
tors. eta vs tors. theta energy: -83.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -894.559250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.559250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.559250 (E_RNA)
where:
Base-Base interactions energy: -610.396
where: short stacking energy: -262.926
Base-Backbone interact. energy: -0.575
local terms energy: -283.587942
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -59.075
flat angles P-C4'-P energy: -43.075
tors. eta vs tors. theta energy: -74.796
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: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -834.494714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.494714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.494714 (E_RNA)
where:
Base-Base interactions energy: -572.955
where: short stacking energy: -242.965
Base-Backbone interact. energy: -0.623
local terms energy: -260.916132
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -46.580
flat angles C4'-P-C4' energy: -55.705
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: -67.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -801.469047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.469047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.469047 (E_RNA)
where:
Base-Base interactions energy: -545.673
where: short stacking energy: -239.761
Base-Backbone interact. energy: -0.422
local terms energy: -255.374419
where:
bonds (distance) C4'-P energy: -44.439
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -49.232
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: -72.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -802.936563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.936563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.936563 (E_RNA)
where:
Base-Base interactions energy: -534.666
where: short stacking energy: -228.620
Base-Backbone interact. energy: -1.151
local terms energy: -267.120133
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -39.908
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: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -750.647690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.647690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.647690 (E_RNA)
where:
Base-Base interactions energy: -512.029
where: short stacking energy: -221.448
Base-Backbone interact. energy: -0.224
local terms energy: -238.394986
where:
bonds (distance) C4'-P energy: -50.195
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -44.343
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -59.691
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: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -692.377295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.377295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.377295 (E_RNA)
where:
Base-Base interactions energy: -476.185
where: short stacking energy: -195.517
Base-Backbone interact. energy: -0.479
local terms energy: -215.713655
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -48.443
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: -52.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -473.473739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.473739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.473739 (E_RNA)
where:
Base-Base interactions energy: -291.880
where: short stacking energy: -138.585
Base-Backbone interact. energy: -0.404
local terms energy: -181.189753
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -46.033
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -224.487861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487861 (E_RNA)
where:
Base-Base interactions energy: -94.021
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.114
local terms energy: -130.352883
where:
bonds (distance) C4'-P energy: -42.819
bonds (distance) P-C4' energy: -53.111
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -984.657067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.657067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.657067 (E_RNA)
where:
Base-Base interactions energy: -667.946
where: short stacking energy: -288.210
Base-Backbone interact. energy: -1.041
local terms energy: -315.670336
where:
bonds (distance) C4'-P energy: -59.515
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: -93.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -934.095391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.095391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.095391 (E_RNA)
where:
Base-Base interactions energy: -657.437
where: short stacking energy: -281.675
Base-Backbone interact. energy: -2.880
local terms energy: -273.777738
where:
bonds (distance) C4'-P energy: -48.484
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -79.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -887.055739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.055739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.055739 (E_RNA)
where:
Base-Base interactions energy: -618.884
where: short stacking energy: -271.748
Base-Backbone interact. energy: -0.512
local terms energy: -267.659030
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -53.971
flat angles C4'-P-C4' energy: -54.059
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -817.252512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.252512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.252512 (E_RNA)
where:
Base-Base interactions energy: -573.247
where: short stacking energy: -232.606
Base-Backbone interact. energy: -0.712
local terms energy: -243.294207
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -50.165
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -811.390008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.390008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.390008 (E_RNA)
where:
Base-Base interactions energy: -571.810
where: short stacking energy: -247.554
Base-Backbone interact. energy: -0.233
local terms energy: -239.347170
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -44.957
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: -64.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -792.688265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.688265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.688265 (E_RNA)
where:
Base-Base interactions energy: -537.417
where: short stacking energy: -235.621
Base-Backbone interact. energy: -1.696
local terms energy: -253.575430
where:
bonds (distance) C4'-P energy: -47.240
bonds (distance) P-C4' energy: -42.944
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -65.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -745.361561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.361561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.361561 (E_RNA)
where:
Base-Base interactions energy: -514.639
where: short stacking energy: -224.448
Base-Backbone interact. energy: 2.469
local terms energy: -233.191815
where:
bonds (distance) C4'-P energy: -38.710
bonds (distance) P-C4' energy: -48.997
flat angles C4'-P-C4' energy: -48.709
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -67.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -710.482108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.482108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.482108 (E_RNA)
where:
Base-Base interactions energy: -478.674
where: short stacking energy: -198.464
Base-Backbone interact. energy: -0.306
local terms energy: -231.502723
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -49.650
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -49.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -502.345659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.345659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.345659 (E_RNA)
where:
Base-Base interactions energy: -310.661
where: short stacking energy: -143.863
Base-Backbone interact. energy: 0.662
local terms energy: -192.346173
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -27.793
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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -230.615314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615314 (E_RNA)
where:
Base-Base interactions energy: -84.474
where: short stacking energy: -60.592
Base-Backbone interact. energy: -1.152
local terms energy: -144.989444
where:
bonds (distance) C4'-P energy: -48.048
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: 6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -951.930960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.930960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.930960 (E_RNA)
where:
Base-Base interactions energy: -672.246
where: short stacking energy: -278.415
Base-Backbone interact. energy: -0.933
local terms energy: -278.752627
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -48.738
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -39.923
tors. eta vs tors. theta energy: -83.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -949.011303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.011303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.011303 (E_RNA)
where:
Base-Base interactions energy: -644.133
where: short stacking energy: -271.196
Base-Backbone interact. energy: -1.251
local terms energy: -303.626937
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -92.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -907.055610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.055610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.055610 (E_RNA)
where:
Base-Base interactions energy: -639.144
where: short stacking energy: -280.801
Base-Backbone interact. energy: -1.091
local terms energy: -266.820594
where:
bonds (distance) C4'-P energy: -53.868
bonds (distance) P-C4' energy: -45.885
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -77.983
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: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -827.586520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.586520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.586520 (E_RNA)
where:
Base-Base interactions energy: -567.289
where: short stacking energy: -239.423
Base-Backbone interact. energy: -0.335
local terms energy: -259.961910
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -67.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -799.860929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.860929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.860929 (E_RNA)
where:
Base-Base interactions energy: -554.105
where: short stacking energy: -259.755
Base-Backbone interact. energy: -0.183
local terms energy: -245.572960
where:
bonds (distance) C4'-P energy: -43.574
bonds (distance) P-C4' energy: -49.869
flat angles C4'-P-C4' energy: -48.859
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -66.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -799.953153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.953153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.953153 (E_RNA)
where:
Base-Base interactions energy: -550.778
where: short stacking energy: -232.925
Base-Backbone interact. energy: 2.530
local terms energy: -251.704595
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -47.329
flat angles C4'-P-C4' energy: -53.939
flat angles P-C4'-P energy: -32.341
tors. eta vs tors. theta energy: -67.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -757.560013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.560013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.560013 (E_RNA)
where:
Base-Base interactions energy: -525.079
where: short stacking energy: -227.032
Base-Backbone interact. energy: 0.834
local terms energy: -233.314374
where:
bonds (distance) C4'-P energy: -37.246
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -34.652
tors. eta vs tors. theta energy: -66.292
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: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -721.287199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.287199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.287199 (E_RNA)
where:
Base-Base interactions energy: -487.303
where: short stacking energy: -209.838
Base-Backbone interact. energy: -0.517
local terms energy: -233.466804
where:
bonds (distance) C4'-P energy: -45.310
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -60.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -487.027257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.027257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.027257 (E_RNA)
where:
Base-Base interactions energy: -305.647
where: short stacking energy: -135.485
Base-Backbone interact. energy: -1.359
local terms energy: -180.021521
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -47.764
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -26.547
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -273.215249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.215249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.215249 (E_RNA)
where:
Base-Base interactions energy: -124.434
where: short stacking energy: -79.463
Base-Backbone interact. energy: -1.639
local terms energy: -147.141554
where:
bonds (distance) C4'-P energy: -49.500
bonds (distance) P-C4' energy: -33.084
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -2.719
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: 345
Temperature: 0.900000
Total energy: -978.386849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.386849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.386849 (E_RNA)
where:
Base-Base interactions energy: -674.730
where: short stacking energy: -288.232
Base-Backbone interact. energy: -1.869
local terms energy: -301.788390
where:
bonds (distance) C4'-P energy: -52.446
bonds (distance) P-C4' energy: -52.998
flat angles C4'-P-C4' energy: -62.708
flat angles P-C4'-P energy: -50.048
tors. eta vs tors. theta energy: -83.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -961.518651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.518651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.518651 (E_RNA)
where:
Base-Base interactions energy: -656.520
where: short stacking energy: -273.343
Base-Backbone interact. energy: -1.456
local terms energy: -303.542351
where:
bonds (distance) C4'-P energy: -56.049
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -62.193
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -89.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -891.230417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.230417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.230417 (E_RNA)
where:
Base-Base interactions energy: -602.628
where: short stacking energy: -265.608
Base-Backbone interact. energy: -1.098
local terms energy: -287.504556
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -59.989
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -42.158
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: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -847.196394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.196394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.196394 (E_RNA)
where:
Base-Base interactions energy: -581.154
where: short stacking energy: -245.442
Base-Backbone interact. energy: -1.250
local terms energy: -264.792858
where:
bonds (distance) C4'-P energy: -44.722
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -36.541
tors. eta vs tors. theta energy: -71.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -810.975558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.975558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.975558 (E_RNA)
where:
Base-Base interactions energy: -562.188
where: short stacking energy: -230.313
Base-Backbone interact. energy: 0.061
local terms energy: -248.848607
where:
bonds (distance) C4'-P energy: -43.135
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -52.394
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -64.035
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: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -799.756179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.756179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.756179 (E_RNA)
where:
Base-Base interactions energy: -545.074
where: short stacking energy: -243.129
Base-Backbone interact. energy: -1.401
local terms energy: -253.280633
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -51.598
flat angles C4'-P-C4' energy: -59.970
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -71.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -750.902190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.902190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.902190 (E_RNA)
where:
Base-Base interactions energy: -521.334
where: short stacking energy: -200.255
Base-Backbone interact. energy: 2.050
local terms energy: -231.617541
where:
bonds (distance) C4'-P energy: -40.651
bonds (distance) P-C4' energy: -39.776
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -53.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -714.885347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.885347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.885347 (E_RNA)
where:
Base-Base interactions energy: -489.857
where: short stacking energy: -213.779
Base-Backbone interact. energy: -0.134
local terms energy: -224.894037
where:
bonds (distance) C4'-P energy: -43.000
bonds (distance) P-C4' energy: -47.553
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -33.036
tors. eta vs tors. theta energy: -49.368
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: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -484.765652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.765652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.765652 (E_RNA)
where:
Base-Base interactions energy: -293.131
where: short stacking energy: -135.986
Base-Backbone interact. energy: 0.627
local terms energy: -192.261408
where:
bonds (distance) C4'-P energy: -46.957
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -51.787
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -290.973100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.973100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.973100 (E_RNA)
where:
Base-Base interactions energy: -125.022
where: short stacking energy: -84.536
Base-Backbone interact. energy: -2.679
local terms energy: -163.272296
where:
bonds (distance) C4'-P energy: -42.466
bonds (distance) P-C4' energy: -53.376
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -973.098019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.098019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.098019 (E_RNA)
where:
Base-Base interactions energy: -664.720
where: short stacking energy: -299.200
Base-Backbone interact. energy: 0.009
local terms energy: -308.387298
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -67.324
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -91.914
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: 346
Temperature: 0.950000
Total energy: -943.382652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.382652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.382652 (E_RNA)
where:
Base-Base interactions energy: -663.079
where: short stacking energy: -280.248
Base-Backbone interact. energy: -1.788
local terms energy: -278.515827
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -82.518
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: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -879.589329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.589329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.589329 (E_RNA)
where:
Base-Base interactions energy: -605.037
where: short stacking energy: -260.668
Base-Backbone interact. energy: 1.430
local terms energy: -275.982277
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -52.159
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -77.983
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: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -825.799308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.799308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.799308 (E_RNA)
where:
Base-Base interactions energy: -557.809
where: short stacking energy: -239.995
Base-Backbone interact. energy: -0.711
local terms energy: -267.279594
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -64.268
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -72.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -800.750326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.750326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.750326 (E_RNA)
where:
Base-Base interactions energy: -548.588
where: short stacking energy: -226.423
Base-Backbone interact. energy: 0.288
local terms energy: -252.450484
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -58.056
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -58.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -800.549824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.549824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.549824 (E_RNA)
where:
Base-Base interactions energy: -546.069
where: short stacking energy: -236.557
Base-Backbone interact. energy: 0.070
local terms energy: -254.550095
where:
bonds (distance) C4'-P energy: -51.888
bonds (distance) P-C4' energy: -48.773
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: -64.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -788.708965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.708965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.708965 (E_RNA)
where:
Base-Base interactions energy: -540.023
where: short stacking energy: -213.399
Base-Backbone interact. energy: 1.188
local terms energy: -249.873287
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -45.966
flat angles C4'-P-C4' energy: -55.299
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -59.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -704.129981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.129981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.129981 (E_RNA)
where:
Base-Base interactions energy: -483.188
where: short stacking energy: -183.161
Base-Backbone interact. energy: -0.383
local terms energy: -220.558988
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: -50.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -430.230660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.230660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.230660 (E_RNA)
where:
Base-Base interactions energy: -229.193
where: short stacking energy: -116.336
Base-Backbone interact. energy: -1.541
local terms energy: -199.496817
where:
bonds (distance) C4'-P energy: -50.748
bonds (distance) P-C4' energy: -55.773
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -285.536021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.536021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.536021 (E_RNA)
where:
Base-Base interactions energy: -130.614
where: short stacking energy: -83.881
Base-Backbone interact. energy: -0.074
local terms energy: -154.847848
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: 10.226
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -968.996015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.996015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.996015 (E_RNA)
where:
Base-Base interactions energy: -667.161
where: short stacking energy: -295.653
Base-Backbone interact. energy: -0.939
local terms energy: -300.896880
where:
bonds (distance) C4'-P energy: -49.789
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -64.259
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -90.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -950.355716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.355716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.355716 (E_RNA)
where:
Base-Base interactions energy: -658.474
where: short stacking energy: -282.712
Base-Backbone interact. energy: -0.607
local terms energy: -291.275074
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -88.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -880.947362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.947362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.947362 (E_RNA)
where:
Base-Base interactions energy: -591.114
where: short stacking energy: -262.081
Base-Backbone interact. energy: -0.680
local terms energy: -289.153702
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -60.239
flat angles C4'-P-C4' energy: -59.940
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -74.497
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: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -870.377344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.377344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.377344 (E_RNA)
where:
Base-Base interactions energy: -591.881
where: short stacking energy: -279.437
Base-Backbone interact. energy: -0.589
local terms energy: -277.907135
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -56.980
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -81.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -805.517921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.517921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.517921 (E_RNA)
where:
Base-Base interactions energy: -534.138
where: short stacking energy: -233.754
Base-Backbone interact. energy: -0.404
local terms energy: -270.976202
where:
bonds (distance) C4'-P energy: -48.505
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -66.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -817.791484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.791484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.791484 (E_RNA)
where:
Base-Base interactions energy: -558.884
where: short stacking energy: -232.573
Base-Backbone interact. energy: -1.214
local terms energy: -257.693578
where:
bonds (distance) C4'-P energy: -40.807
bonds (distance) P-C4' energy: -48.168
flat angles C4'-P-C4' energy: -49.370
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -75.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -778.094936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.094936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.094936 (E_RNA)
where:
Base-Base interactions energy: -529.266
where: short stacking energy: -244.203
Base-Backbone interact. energy: -0.542
local terms energy: -248.287601
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -39.632
tors. eta vs tors. theta energy: -68.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -675.081911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.081911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.081911 (E_RNA)
where:
Base-Base interactions energy: -452.264
where: short stacking energy: -173.782
Base-Backbone interact. energy: -0.357
local terms energy: -222.461378
where:
bonds (distance) C4'-P energy: -45.711
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -47.607
flat angles P-C4'-P energy: -34.265
tors. eta vs tors. theta energy: -53.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -417.349434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.349434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.349434 (E_RNA)
where:
Base-Base interactions energy: -237.195
where: short stacking energy: -107.939
Base-Backbone interact. energy: 0.217
local terms energy: -180.370930
where:
bonds (distance) C4'-P energy: -35.672
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -301.713847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.713847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.713847 (E_RNA)
where:
Base-Base interactions energy: -160.213
where: short stacking energy: -84.611
Base-Backbone interact. energy: -0.973
local terms energy: -140.527487
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -45.349
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: 4.610
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: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -956.182281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.182281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.182281 (E_RNA)
where:
Base-Base interactions energy: -661.922
where: short stacking energy: -266.689
Base-Backbone interact. energy: -0.050
local terms energy: -294.210425
where:
bonds (distance) C4'-P energy: -57.508
bonds (distance) P-C4' energy: -50.137
flat angles C4'-P-C4' energy: -61.625
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -84.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -944.570005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.570005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.570005 (E_RNA)
where:
Base-Base interactions energy: -647.153
where: short stacking energy: -278.971
Base-Backbone interact. energy: -0.640
local terms energy: -296.776760
where:
bonds (distance) C4'-P energy: -49.520
bonds (distance) P-C4' energy: -62.016
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -87.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -885.485016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.485016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.485016 (E_RNA)
where:
Base-Base interactions energy: -592.562
where: short stacking energy: -249.431
Base-Backbone interact. energy: -0.714
local terms energy: -292.208187
where:
bonds (distance) C4'-P energy: -56.780
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -45.052
tors. eta vs tors. theta energy: -75.452
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: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -820.465875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.465875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.465875 (E_RNA)
where:
Base-Base interactions energy: -558.567
where: short stacking energy: -249.654
Base-Backbone interact. energy: 1.607
local terms energy: -263.505022
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -47.679
flat angles C4'-P-C4' energy: -55.973
flat angles P-C4'-P energy: -39.546
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -819.208143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.208143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.208143 (E_RNA)
where:
Base-Base interactions energy: -574.450
where: short stacking energy: -247.495
Base-Backbone interact. energy: -0.166
local terms energy: -244.592587
where:
bonds (distance) C4'-P energy: -53.160
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -55.150
flat angles P-C4'-P energy: -37.163
tors. eta vs tors. theta energy: -64.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -781.031577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.031577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.031577 (E_RNA)
where:
Base-Base interactions energy: -553.391
where: short stacking energy: -238.168
Base-Backbone interact. energy: -0.443
local terms energy: -227.197214
where:
bonds (distance) C4'-P energy: -48.773
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -66.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -784.841539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.841539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.841539 (E_RNA)
where:
Base-Base interactions energy: -537.195
where: short stacking energy: -238.013
Base-Backbone interact. energy: -1.083
local terms energy: -246.563846
where:
bonds (distance) C4'-P energy: -43.587
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -38.124
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: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -630.744566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.744566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.744566 (E_RNA)
where:
Base-Base interactions energy: -425.232
where: short stacking energy: -173.439
Base-Backbone interact. energy: -0.735
local terms energy: -204.777280
where:
bonds (distance) C4'-P energy: -41.107
bonds (distance) P-C4' energy: -56.340
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -41.593
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -447.667116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.667116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.667116 (E_RNA)
where:
Base-Base interactions energy: -284.700
where: short stacking energy: -132.848
Base-Backbone interact. energy: 0.129
local terms energy: -163.095982
where:
bonds (distance) C4'-P energy: -36.800
bonds (distance) P-C4' energy: -36.976
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -19.343
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: 348
Temperature: 1.350000
Total energy: -315.999140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.999140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.999140 (E_RNA)
where:
Base-Base interactions energy: -171.243
where: short stacking energy: -106.105
Base-Backbone interact. energy: 2.581
local terms energy: -147.336654
where:
bonds (distance) C4'-P energy: -41.393
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -34.837
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -984.847716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.847716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.847716 (E_RNA)
where:
Base-Base interactions energy: -677.389
where: short stacking energy: -300.964
Base-Backbone interact. energy: -0.652
local terms energy: -306.806041
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -60.619
flat angles C4'-P-C4' energy: -63.152
flat angles P-C4'-P energy: -46.509
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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -936.291239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.291239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.291239 (E_RNA)
where:
Base-Base interactions energy: -641.422
where: short stacking energy: -282.276
Base-Backbone interact. energy: -0.861
local terms energy: -294.008512
where:
bonds (distance) C4'-P energy: -52.421
bonds (distance) P-C4' energy: -48.397
flat angles C4'-P-C4' energy: -59.799
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -90.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -866.376178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.376178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.376178 (E_RNA)
where:
Base-Base interactions energy: -585.323
where: short stacking energy: -256.245
Base-Backbone interact. energy: -0.637
local terms energy: -280.416811
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -57.164
flat angles P-C4'-P energy: -49.817
tors. eta vs tors. theta energy: -69.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -829.774116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.774116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.774116 (E_RNA)
where:
Base-Base interactions energy: -554.111
where: short stacking energy: -245.642
Base-Backbone interact. energy: -0.062
local terms energy: -275.600887
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -56.190
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -71.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -830.522568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.522568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.522568 (E_RNA)
where:
Base-Base interactions energy: -585.268
where: short stacking energy: -260.547
Base-Backbone interact. energy: -0.261
local terms energy: -244.993911
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -60.981
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -71.850
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: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -792.499540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.499540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.499540 (E_RNA)
where:
Base-Base interactions energy: -533.345
where: short stacking energy: -225.853
Base-Backbone interact. energy: -1.180
local terms energy: -257.974897
where:
bonds (distance) C4'-P energy: -46.934
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -47.916
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -72.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -741.694919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.694919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.694919 (E_RNA)
where:
Base-Base interactions energy: -508.744
where: short stacking energy: -211.519
Base-Backbone interact. energy: -0.710
local terms energy: -232.240531
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -54.869
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -56.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -634.391454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.391454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.391454 (E_RNA)
where:
Base-Base interactions energy: -418.248
where: short stacking energy: -185.605
Base-Backbone interact. energy: -1.386
local terms energy: -214.757822
where:
bonds (distance) C4'-P energy: -40.449
bonds (distance) P-C4' energy: -51.250
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -48.996
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: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -427.537287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.537287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.537287 (E_RNA)
where:
Base-Base interactions energy: -247.870
where: short stacking energy: -128.393
Base-Backbone interact. energy: -0.492
local terms energy: -179.176112
where:
bonds (distance) C4'-P energy: -53.225
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -25.965
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -309.431104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.431104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.431104 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -77.184
Base-Backbone interact. energy: 5.956
local terms energy: -162.605861
where:
bonds (distance) C4'-P energy: -43.460
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -39.522
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -6.844
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: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -973.526451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.526451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.526451 (E_RNA)
where:
Base-Base interactions energy: -671.601
where: short stacking energy: -286.417
Base-Backbone interact. energy: -0.619
local terms energy: -301.306831
where:
bonds (distance) C4'-P energy: -46.023
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -65.670
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -94.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -958.588055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.588055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.588055 (E_RNA)
where:
Base-Base interactions energy: -682.482
where: short stacking energy: -296.111
Base-Backbone interact. energy: 1.643
local terms energy: -277.749310
where:
bonds (distance) C4'-P energy: -45.606
bonds (distance) P-C4' energy: -45.601
flat angles C4'-P-C4' energy: -59.224
flat angles P-C4'-P energy: -38.503
tors. eta vs tors. theta energy: -88.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -877.029537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.029537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.029537 (E_RNA)
where:
Base-Base interactions energy: -602.172
where: short stacking energy: -278.623
Base-Backbone interact. energy: -0.382
local terms energy: -274.475866
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -47.259
flat angles C4'-P-C4' energy: -58.003
flat angles P-C4'-P energy: -43.544
tors. eta vs tors. theta energy: -83.718
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: 350
Temperature: 1.050000
Total energy: -821.560563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.560563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.560563 (E_RNA)
where:
Base-Base interactions energy: -566.000
where: short stacking energy: -243.341
Base-Backbone interact. energy: -0.312
local terms energy: -255.249463
where:
bonds (distance) C4'-P energy: -53.857
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -47.826
flat angles P-C4'-P energy: -30.136
tors. eta vs tors. theta energy: -71.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -803.806142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.806142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.806142 (E_RNA)
where:
Base-Base interactions energy: -543.850
where: short stacking energy: -242.363
Base-Backbone interact. energy: -0.334
local terms energy: -259.622229
where:
bonds (distance) C4'-P energy: -44.000
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -64.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -794.053682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.053682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.053682 (E_RNA)
where:
Base-Base interactions energy: -538.957
where: short stacking energy: -231.993
Base-Backbone interact. energy: -0.366
local terms energy: -254.730105
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -65.497
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: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -763.938171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.938171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.938171 (E_RNA)
where:
Base-Base interactions energy: -522.597
where: short stacking energy: -226.870
Base-Backbone interact. energy: -1.447
local terms energy: -239.894570
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -42.461
flat angles C4'-P-C4' energy: -53.344
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -63.890
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: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -635.224997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.224997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.224997 (E_RNA)
where:
Base-Base interactions energy: -428.111
where: short stacking energy: -182.320
Base-Backbone interact. energy: 1.139
local terms energy: -208.252840
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -46.720
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -34.324
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: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -411.823746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.823746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.823746 (E_RNA)
where:
Base-Base interactions energy: -232.408
where: short stacking energy: -120.796
Base-Backbone interact. energy: -1.546
local terms energy: -177.869699
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -48.072
flat angles C4'-P-C4' energy: -50.214
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -224.692416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.692416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.692416 (E_RNA)
where:
Base-Base interactions energy: -80.813
where: short stacking energy: -68.022
Base-Backbone interact. energy: 2.506
local terms energy: -146.385509
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: 9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -978.402279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.402279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.402279 (E_RNA)
where:
Base-Base interactions energy: -678.064
where: short stacking energy: -288.507
Base-Backbone interact. energy: -0.306
local terms energy: -300.032375
where:
bonds (distance) C4'-P energy: -55.485
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -91.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -941.076404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.076404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.076404 (E_RNA)
where:
Base-Base interactions energy: -644.284
where: short stacking energy: -264.656
Base-Backbone interact. energy: 1.590
local terms energy: -298.381888
where:
bonds (distance) C4'-P energy: -47.178
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -62.463
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -88.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -878.039971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.039971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.039971 (E_RNA)
where:
Base-Base interactions energy: -597.187
where: short stacking energy: -260.284
Base-Backbone interact. energy: -0.824
local terms energy: -280.028446
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -57.041
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -79.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -839.069417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.069417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.069417 (E_RNA)
where:
Base-Base interactions energy: -574.248
where: short stacking energy: -242.961
Base-Backbone interact. energy: -1.528
local terms energy: -263.293463
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -38.436
flat angles C4'-P-C4' energy: -56.086
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -70.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -814.745082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.745082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.745082 (E_RNA)
where:
Base-Base interactions energy: -555.341
where: short stacking energy: -220.507
Base-Backbone interact. energy: 0.242
local terms energy: -259.646561
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -56.805
flat angles P-C4'-P energy: -40.073
tors. eta vs tors. theta energy: -66.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -792.855160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.855160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.855160 (E_RNA)
where:
Base-Base interactions energy: -547.046
where: short stacking energy: -242.802
Base-Backbone interact. energy: 1.698
local terms energy: -247.507124
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -56.769
flat angles P-C4'-P energy: -30.391
tors. eta vs tors. theta energy: -64.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -744.795586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.795586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.795586 (E_RNA)
where:
Base-Base interactions energy: -502.205
where: short stacking energy: -187.454
Base-Backbone interact. energy: -0.711
local terms energy: -241.879519
where:
bonds (distance) C4'-P energy: -42.154
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -50.380
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: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -600.300013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.300013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.300013 (E_RNA)
where:
Base-Base interactions energy: -411.465
where: short stacking energy: -165.916
Base-Backbone interact. energy: -0.742
local terms energy: -188.093442
where:
bonds (distance) C4'-P energy: -47.101
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -44.694
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -34.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -402.659388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.659388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.659388 (E_RNA)
where:
Base-Base interactions energy: -223.753
where: short stacking energy: -107.378
Base-Backbone interact. energy: -1.258
local terms energy: -177.648930
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -54.983
flat angles C4'-P-C4' energy: -52.354
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -12.856
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: 351
Temperature: 1.350000
Total energy: -233.159518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.159518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.159518 (E_RNA)
where:
Base-Base interactions energy: -93.336
where: short stacking energy: -81.555
Base-Backbone interact. energy: -0.348
local terms energy: -139.475680
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -43.298
flat angles C4'-P-C4' energy: -34.727
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: 5.610
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: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -966.504972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.504972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.504972 (E_RNA)
where:
Base-Base interactions energy: -658.778
where: short stacking energy: -288.791
Base-Backbone interact. energy: -0.811
local terms energy: -306.916330
where:
bonds (distance) C4'-P energy: -53.630
bonds (distance) P-C4' energy: -57.660
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -43.470
tors. eta vs tors. theta energy: -86.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -942.067134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.067134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.067134 (E_RNA)
where:
Base-Base interactions energy: -650.344
where: short stacking energy: -282.898
Base-Backbone interact. energy: -1.772
local terms energy: -289.951497
where:
bonds (distance) C4'-P energy: -46.874
bonds (distance) P-C4' energy: -49.087
flat angles C4'-P-C4' energy: -61.481
flat angles P-C4'-P energy: -45.038
tors. eta vs tors. theta energy: -87.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -895.434615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.434615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.434615 (E_RNA)
where:
Base-Base interactions energy: -618.889
where: short stacking energy: -259.489
Base-Backbone interact. energy: -0.919
local terms energy: -275.627073
where:
bonds (distance) C4'-P energy: -47.998
bonds (distance) P-C4' energy: -54.147
flat angles C4'-P-C4' energy: -60.126
flat angles P-C4'-P energy: -38.115
tors. eta vs tors. theta energy: -75.241
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: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -836.848974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.848974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.848974 (E_RNA)
where:
Base-Base interactions energy: -585.025
where: short stacking energy: -260.533
Base-Backbone interact. energy: -0.681
local terms energy: -251.142838
where:
bonds (distance) C4'-P energy: -41.632
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -79.235
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -814.858615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.858615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.858615 (E_RNA)
where:
Base-Base interactions energy: -553.962
where: short stacking energy: -238.271
Base-Backbone interact. energy: -0.208
local terms energy: -260.688485
where:
bonds (distance) C4'-P energy: -46.207
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -55.509
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -786.058842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.058842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.058842 (E_RNA)
where:
Base-Base interactions energy: -527.531
where: short stacking energy: -232.582
Base-Backbone interact. energy: 0.661
local terms energy: -259.188879
where:
bonds (distance) C4'-P energy: -49.764
bonds (distance) P-C4' energy: -54.472
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -66.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -752.891537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.891537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.891537 (E_RNA)
where:
Base-Base interactions energy: -508.895
where: short stacking energy: -214.166
Base-Backbone interact. energy: -0.320
local terms energy: -243.676818
where:
bonds (distance) C4'-P energy: -46.744
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -52.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -602.677835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.677835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.677835 (E_RNA)
where:
Base-Base interactions energy: -406.138
where: short stacking energy: -161.144
Base-Backbone interact. energy: -0.641
local terms energy: -195.898986
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -47.715
flat angles C4'-P-C4' energy: -56.019
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -33.401
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -414.036901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.036901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.036901 (E_RNA)
where:
Base-Base interactions energy: -236.938
where: short stacking energy: -115.767
Base-Backbone interact. energy: -0.872
local terms energy: -176.226911
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -56.880
flat angles C4'-P-C4' energy: -41.541
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -233.130994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.130994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.130994 (E_RNA)
where:
Base-Base interactions energy: -86.270
where: short stacking energy: -59.168
Base-Backbone interact. energy: -1.208
local terms energy: -145.653474
where:
bonds (distance) C4'-P energy: -43.057
bonds (distance) P-C4' energy: -49.188
flat angles C4'-P-C4' energy: -39.527
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: 5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -956.589083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.589083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.589083 (E_RNA)
where:
Base-Base interactions energy: -664.250
where: short stacking energy: -297.885
Base-Backbone interact. energy: -0.043
local terms energy: -292.296510
where:
bonds (distance) C4'-P energy: -54.647
bonds (distance) P-C4' energy: -51.698
flat angles C4'-P-C4' energy: -52.126
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: -91.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -951.358376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.358376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.358376 (E_RNA)
where:
Base-Base interactions energy: -652.316
where: short stacking energy: -274.967
Base-Backbone interact. energy: -1.608
local terms energy: -297.434815
where:
bonds (distance) C4'-P energy: -53.667
bonds (distance) P-C4' energy: -55.743
flat angles C4'-P-C4' energy: -61.532
flat angles P-C4'-P energy: -39.128
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: 353
Temperature: 1.000000
Total energy: -913.566517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.566517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.566517 (E_RNA)
where:
Base-Base interactions energy: -632.547
where: short stacking energy: -263.413
Base-Backbone interact. energy: -1.519
local terms energy: -279.500691
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -59.257
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -75.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -836.351881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.351881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.351881 (E_RNA)
where:
Base-Base interactions energy: -567.510
where: short stacking energy: -253.822
Base-Backbone interact. energy: -0.584
local terms energy: -268.257008
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -51.186
flat angles C4'-P-C4' energy: -54.842
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -74.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -784.048214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.048214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.048214 (E_RNA)
where:
Base-Base interactions energy: -544.613
where: short stacking energy: -226.989
Base-Backbone interact. energy: -1.004
local terms energy: -238.431534
where:
bonds (distance) C4'-P energy: -36.477
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -55.441
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -60.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -806.172532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.172532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.172532 (E_RNA)
where:
Base-Base interactions energy: -549.060
where: short stacking energy: -227.622
Base-Backbone interact. energy: -1.217
local terms energy: -255.895947
where:
bonds (distance) C4'-P energy: -50.827
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -69.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -761.756213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.756213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.756213 (E_RNA)
where:
Base-Base interactions energy: -530.970
where: short stacking energy: -236.870
Base-Backbone interact. energy: -0.147
local terms energy: -230.638988
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -42.663
flat angles C4'-P-C4' energy: -52.081
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -69.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -652.266487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.266487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.266487 (E_RNA)
where:
Base-Base interactions energy: -448.507
where: short stacking energy: -172.628
Base-Backbone interact. energy: -0.243
local terms energy: -203.516228
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -38.093
flat angles C4'-P-C4' energy: -47.112
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -39.289
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: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -414.973365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.973365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.973365 (E_RNA)
where:
Base-Base interactions energy: -237.662
where: short stacking energy: -124.376
Base-Backbone interact. energy: -0.546
local terms energy: -176.765638
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -47.967
flat angles C4'-P-C4' energy: -46.678
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -221.367359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.367359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.367359 (E_RNA)
where:
Base-Base interactions energy: -75.874
where: short stacking energy: -69.244
Base-Backbone interact. energy: -0.700
local terms energy: -144.793198
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -41.964
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: 3.337
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -963.171655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.171655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.171655 (E_RNA)
where:
Base-Base interactions energy: -666.973
where: short stacking energy: -285.284
Base-Backbone interact. energy: -2.013
local terms energy: -294.185216
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -53.220
flat angles C4'-P-C4' energy: -54.955
flat angles P-C4'-P energy: -43.377
tors. eta vs tors. theta energy: -90.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -940.895250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.895250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.895250 (E_RNA)
where:
Base-Base interactions energy: -655.865
where: short stacking energy: -284.121
Base-Backbone interact. energy: -0.717
local terms energy: -284.313988
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -57.011
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -81.392
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: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -899.080336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.080336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.080336 (E_RNA)
where:
Base-Base interactions energy: -629.611
where: short stacking energy: -279.302
Base-Backbone interact. energy: -0.314
local terms energy: -269.155356
where:
bonds (distance) C4'-P energy: -49.077
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -57.280
flat angles P-C4'-P energy: -33.480
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: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -832.190421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.190421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.190421 (E_RNA)
where:
Base-Base interactions energy: -566.948
where: short stacking energy: -253.968
Base-Backbone interact. energy: -0.360
local terms energy: -264.882911
where:
bonds (distance) C4'-P energy: -48.480
bonds (distance) P-C4' energy: -52.599
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -34.166
tors. eta vs tors. theta energy: -69.419
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: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -819.942573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.942573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.942573 (E_RNA)
where:
Base-Base interactions energy: -567.060
where: short stacking energy: -230.933
Base-Backbone interact. energy: -0.260
local terms energy: -252.622614
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -54.210
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -65.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -766.639399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.639399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.639399 (E_RNA)
where:
Base-Base interactions energy: -526.706
where: short stacking energy: -213.700
Base-Backbone interact. energy: -0.383
local terms energy: -239.551308
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -52.453
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -42.285
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -782.252550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.252550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.252550 (E_RNA)
where:
Base-Base interactions energy: -536.609
where: short stacking energy: -229.452
Base-Backbone interact. energy: -1.418
local terms energy: -244.225864
where:
bonds (distance) C4'-P energy: -51.647
bonds (distance) P-C4' energy: -44.410
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: -63.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -640.545941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.545941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.545941 (E_RNA)
where:
Base-Base interactions energy: -444.401
where: short stacking energy: -188.542
Base-Backbone interact. energy: -0.636
local terms energy: -195.509443
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -47.841
flat angles P-C4'-P energy: -18.178
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: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -435.432497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.432497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.432497 (E_RNA)
where:
Base-Base interactions energy: -243.448
where: short stacking energy: -124.687
Base-Backbone interact. energy: 4.546
local terms energy: -196.530423
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -52.790
flat angles C4'-P-C4' energy: -43.021
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: -27.142
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: 354
Temperature: 1.350000
Total energy: -220.848203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.848203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.848203 (E_RNA)
where:
Base-Base interactions energy: -71.285
where: short stacking energy: -66.033
Base-Backbone interact. energy: 0.700
local terms energy: -150.263390
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -41.747
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: 12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -959.632475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.632475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.632475 (E_RNA)
where:
Base-Base interactions energy: -658.372
where: short stacking energy: -287.762
Base-Backbone interact. energy: -0.558
local terms energy: -300.702929
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -59.987
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -85.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -951.461758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.461758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.461758 (E_RNA)
where:
Base-Base interactions energy: -658.491
where: short stacking energy: -277.395
Base-Backbone interact. energy: -1.108
local terms energy: -291.862813
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -56.994
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -86.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -917.965309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.965309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.965309 (E_RNA)
where:
Base-Base interactions energy: -639.545
where: short stacking energy: -297.301
Base-Backbone interact. energy: -1.730
local terms energy: -276.690431
where:
bonds (distance) C4'-P energy: -48.575
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -58.611
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -78.666
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: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -829.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.980738 (E_RNA)
where:
Base-Base interactions energy: -568.351
where: short stacking energy: -233.379
Base-Backbone interact. energy: -0.851
local terms energy: -260.778243
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -59.241
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -64.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -814.005356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.005356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.005356 (E_RNA)
where:
Base-Base interactions energy: -566.891
where: short stacking energy: -237.647
Base-Backbone interact. energy: -0.439
local terms energy: -246.674830
where:
bonds (distance) C4'-P energy: -47.376
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -49.501
flat angles P-C4'-P energy: -33.340
tors. eta vs tors. theta energy: -65.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -778.227300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.227300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.227300 (E_RNA)
where:
Base-Base interactions energy: -532.628
where: short stacking energy: -241.806
Base-Backbone interact. energy: -0.960
local terms energy: -244.639607
where:
bonds (distance) C4'-P energy: -36.969
bonds (distance) P-C4' energy: -51.551
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -73.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -743.553040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.553040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.553040 (E_RNA)
where:
Base-Base interactions energy: -514.077
where: short stacking energy: -222.461
Base-Backbone interact. energy: -1.548
local terms energy: -227.928393
where:
bonds (distance) C4'-P energy: -45.716
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -46.677
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -662.242115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.242115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.242115 (E_RNA)
where:
Base-Base interactions energy: -437.909
where: short stacking energy: -188.696
Base-Backbone interact. energy: -0.456
local terms energy: -223.876611
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -46.285
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -37.617
tors. eta vs tors. theta energy: -47.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -425.206858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.206858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.206858 (E_RNA)
where:
Base-Base interactions energy: -249.182
where: short stacking energy: -122.300
Base-Backbone interact. energy: 0.212
local terms energy: -176.237544
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -51.551
flat angles P-C4'-P energy: -20.103
tors. eta vs tors. theta energy: -15.481
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: 355
Temperature: 1.350000
Total energy: -210.665772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.665772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.665772 (E_RNA)
where:
Base-Base interactions energy: -82.039
where: short stacking energy: -65.434
Base-Backbone interact. energy: 0.253
local terms energy: -128.880378
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -48.602
flat angles C4'-P-C4' energy: -36.380
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: 13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -956.706686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.706686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.706686 (E_RNA)
where:
Base-Base interactions energy: -666.047
where: short stacking energy: -277.731
Base-Backbone interact. energy: -0.984
local terms energy: -289.675852
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -56.877
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -87.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -952.026090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.026090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.026090 (E_RNA)
where:
Base-Base interactions energy: -648.055
where: short stacking energy: -266.814
Base-Backbone interact. energy: -0.979
local terms energy: -302.991351
where:
bonds (distance) C4'-P energy: -59.780
bonds (distance) P-C4' energy: -58.977
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -37.966
tors. eta vs tors. theta energy: -84.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -917.160068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.160068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.160068 (E_RNA)
where:
Base-Base interactions energy: -633.235
where: short stacking energy: -284.188
Base-Backbone interact. energy: -0.798
local terms energy: -283.127006
where:
bonds (distance) C4'-P energy: -40.311
bonds (distance) P-C4' energy: -57.924
flat angles C4'-P-C4' energy: -62.649
flat angles P-C4'-P energy: -39.523
tors. eta vs tors. theta energy: -82.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -837.732160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.732160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.732160 (E_RNA)
where:
Base-Base interactions energy: -572.402
where: short stacking energy: -251.415
Base-Backbone interact. energy: -1.473
local terms energy: -263.857035
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -57.918
flat angles P-C4'-P energy: -39.226
tors. eta vs tors. theta energy: -67.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -810.116011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.116011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.116011 (E_RNA)
where:
Base-Base interactions energy: -552.978
where: short stacking energy: -226.041
Base-Backbone interact. energy: -0.242
local terms energy: -256.895452
where:
bonds (distance) C4'-P energy: -55.578
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -66.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -796.542091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.542091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.542091 (E_RNA)
where:
Base-Base interactions energy: -556.632
where: short stacking energy: -241.389
Base-Backbone interact. energy: 0.517
local terms energy: -240.427055
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -42.312
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: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -759.796945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.796945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.796945 (E_RNA)
where:
Base-Base interactions energy: -533.884
where: short stacking energy: -204.734
Base-Backbone interact. energy: -0.155
local terms energy: -225.757308
where:
bonds (distance) C4'-P energy: -43.020
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -59.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -644.544158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.544158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.544158 (E_RNA)
where:
Base-Base interactions energy: -431.772
where: short stacking energy: -167.859
Base-Backbone interact. energy: 3.695
local terms energy: -216.466621
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -37.694
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -44.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -431.724375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.724375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.724375 (E_RNA)
where:
Base-Base interactions energy: -253.935
where: short stacking energy: -125.487
Base-Backbone interact. energy: -0.752
local terms energy: -177.036963
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -53.536
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -27.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -235.584537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.584537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.584537 (E_RNA)
where:
Base-Base interactions energy: -90.896
where: short stacking energy: -81.396
Base-Backbone interact. energy: 0.732
local terms energy: -145.420698
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -34.492
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -962.167992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.167992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.167992 (E_RNA)
where:
Base-Base interactions energy: -666.566
where: short stacking energy: -287.805
Base-Backbone interact. energy: -0.401
local terms energy: -295.201302
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -63.341
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -85.770
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: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -939.814723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.814723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.814723 (E_RNA)
where:
Base-Base interactions energy: -651.008
where: short stacking energy: -287.527
Base-Backbone interact. energy: -0.749
local terms energy: -288.057936
where:
bonds (distance) C4'-P energy: -41.415
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -60.510
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -87.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -935.513210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.513210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.513210 (E_RNA)
where:
Base-Base interactions energy: -641.114
where: short stacking energy: -278.769
Base-Backbone interact. energy: 0.035
local terms energy: -294.433707
where:
bonds (distance) C4'-P energy: -51.290
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -67.647
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -91.633
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: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -852.637901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.637901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.637901 (E_RNA)
where:
Base-Base interactions energy: -603.556
where: short stacking energy: -255.780
Base-Backbone interact. energy: 6.081
local terms energy: -255.163092
where:
bonds (distance) C4'-P energy: -42.330
bonds (distance) P-C4' energy: -57.083
flat angles C4'-P-C4' energy: -50.016
flat angles P-C4'-P energy: -41.583
tors. eta vs tors. theta energy: -64.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -795.025644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.025644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.025644 (E_RNA)
where:
Base-Base interactions energy: -539.909
where: short stacking energy: -225.680
Base-Backbone interact. energy: -1.550
local terms energy: -253.567181
where:
bonds (distance) C4'-P energy: -48.443
bonds (distance) P-C4' energy: -47.590
flat angles C4'-P-C4' energy: -56.710
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -63.108
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: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -785.279002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.279002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.279002 (E_RNA)
where:
Base-Base interactions energy: -554.284
where: short stacking energy: -237.439
Base-Backbone interact. energy: -0.708
local terms energy: -230.287309
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -47.769
flat angles C4'-P-C4' energy: -54.744
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -72.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -729.626665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.626665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.626665 (E_RNA)
where:
Base-Base interactions energy: -501.717
where: short stacking energy: -211.784
Base-Backbone interact. energy: -0.295
local terms energy: -227.614141
where:
bonds (distance) C4'-P energy: -39.167
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -49.887
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -54.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -640.463330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.463330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.463330 (E_RNA)
where:
Base-Base interactions energy: -408.480
where: short stacking energy: -184.270
Base-Backbone interact. energy: 1.197
local terms energy: -233.180278
where:
bonds (distance) C4'-P energy: -52.253
bonds (distance) P-C4' energy: -51.048
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -57.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -432.858205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.858205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.858205 (E_RNA)
where:
Base-Base interactions energy: -258.477
where: short stacking energy: -106.869
Base-Backbone interact. energy: 1.755
local terms energy: -176.136630
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -236.668102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.668102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.668102 (E_RNA)
where:
Base-Base interactions energy: -82.334
where: short stacking energy: -72.851
Base-Backbone interact. energy: 2.972
local terms energy: -157.306125
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -49.316
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: 1.658
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -951.691417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.691417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.691417 (E_RNA)
where:
Base-Base interactions energy: -654.659
where: short stacking energy: -273.325
Base-Backbone interact. energy: -0.354
local terms energy: -296.678817
where:
bonds (distance) C4'-P energy: -52.258
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -81.756
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: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -930.520684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.520684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.520684 (E_RNA)
where:
Base-Base interactions energy: -646.420
where: short stacking energy: -282.670
Base-Backbone interact. energy: -1.606
local terms energy: -282.495189
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -49.047
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -39.018
tors. eta vs tors. theta energy: -80.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -929.431595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.431595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.431595 (E_RNA)
where:
Base-Base interactions energy: -656.155
where: short stacking energy: -275.197
Base-Backbone interact. energy: 3.405
local terms energy: -276.681763
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -56.270
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: -83.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -862.528185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.528185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.528185 (E_RNA)
where:
Base-Base interactions energy: -580.534
where: short stacking energy: -244.432
Base-Backbone interact. energy: -1.947
local terms energy: -280.046835
where:
bonds (distance) C4'-P energy: -56.005
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -74.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -832.600582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.600582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.600582 (E_RNA)
where:
Base-Base interactions energy: -574.081
where: short stacking energy: -238.151
Base-Backbone interact. energy: 2.086
local terms energy: -260.605289
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -56.679
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -35.007
tors. eta vs tors. theta energy: -61.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -799.221863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.221863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.221863 (E_RNA)
where:
Base-Base interactions energy: -543.733
where: short stacking energy: -226.443
Base-Backbone interact. energy: -1.046
local terms energy: -254.442921
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -55.031
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -66.146
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: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -732.995392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.995392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.995392 (E_RNA)
where:
Base-Base interactions energy: -500.553
where: short stacking energy: -206.155
Base-Backbone interact. energy: -0.612
local terms energy: -231.829968
where:
bonds (distance) C4'-P energy: -44.593
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -55.554
flat angles P-C4'-P energy: -31.509
tors. eta vs tors. theta energy: -63.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -655.403719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.403719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.403719 (E_RNA)
where:
Base-Base interactions energy: -449.710
where: short stacking energy: -181.868
Base-Backbone interact. energy: -0.426
local terms energy: -205.267433
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: -50.197
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: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -465.468245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.468245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.468245 (E_RNA)
where:
Base-Base interactions energy: -295.019
where: short stacking energy: -136.455
Base-Backbone interact. energy: -0.003
local terms energy: -170.446691
where:
bonds (distance) C4'-P energy: -41.800
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -25.765
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: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -215.256893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.256893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.256893 (E_RNA)
where:
Base-Base interactions energy: -69.815
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.675
local terms energy: -144.766648
where:
bonds (distance) C4'-P energy: -48.150
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: 10.401
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: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -957.346102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.346102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.346102 (E_RNA)
where:
Base-Base interactions energy: -663.876
where: short stacking energy: -279.338
Base-Backbone interact. energy: -1.520
local terms energy: -291.950190
where:
bonds (distance) C4'-P energy: -53.100
bonds (distance) P-C4' energy: -56.442
flat angles C4'-P-C4' energy: -56.659
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -83.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -933.115496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.115496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.115496 (E_RNA)
where:
Base-Base interactions energy: -647.624
where: short stacking energy: -278.827
Base-Backbone interact. energy: -1.278
local terms energy: -284.212738
where:
bonds (distance) C4'-P energy: -50.662
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -56.961
flat angles P-C4'-P energy: -44.027
tors. eta vs tors. theta energy: -82.509
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: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -929.971145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.971145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.971145 (E_RNA)
where:
Base-Base interactions energy: -641.841
where: short stacking energy: -281.455
Base-Backbone interact. energy: 0.684
local terms energy: -288.814388
where:
bonds (distance) C4'-P energy: -45.429
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -59.516
flat angles P-C4'-P energy: -44.355
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: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -836.829685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.829685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.829685 (E_RNA)
where:
Base-Base interactions energy: -582.204
where: short stacking energy: -255.538
Base-Backbone interact. energy: 2.208
local terms energy: -256.832939
where:
bonds (distance) C4'-P energy: -52.742
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -37.493
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: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -831.248130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.248130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.248130 (E_RNA)
where:
Base-Base interactions energy: -564.655
where: short stacking energy: -238.436
Base-Backbone interact. energy: -1.375
local terms energy: -265.218560
where:
bonds (distance) C4'-P energy: -49.046
bonds (distance) P-C4' energy: -49.423
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -37.085
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: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -751.479919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.479919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.479919 (E_RNA)
where:
Base-Base interactions energy: -524.296
where: short stacking energy: -233.184
Base-Backbone interact. energy: -1.158
local terms energy: -226.026665
where:
bonds (distance) C4'-P energy: -41.172
bonds (distance) P-C4' energy: -48.083
flat angles C4'-P-C4' energy: -48.960
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -56.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -748.085946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.085946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.085946 (E_RNA)
where:
Base-Base interactions energy: -501.201
where: short stacking energy: -214.079
Base-Backbone interact. energy: -0.697
local terms energy: -246.187870
where:
bonds (distance) C4'-P energy: -42.967
bonds (distance) P-C4' energy: -49.073
flat angles C4'-P-C4' energy: -53.145
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -58.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -681.253294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.253294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.253294 (E_RNA)
where:
Base-Base interactions energy: -461.932
where: short stacking energy: -193.360
Base-Backbone interact. energy: 0.438
local terms energy: -219.758974
where:
bonds (distance) C4'-P energy: -46.094
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -51.276
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -54.766
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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -462.187379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.187379 (E_RNA)
where:
Base-Base interactions energy: -277.412
where: short stacking energy: -147.111
Base-Backbone interact. energy: -0.836
local terms energy: -183.939257
where:
bonds (distance) C4'-P energy: -55.602
bonds (distance) P-C4' energy: -26.994
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -284.460660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.460660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.460660 (E_RNA)
where:
Base-Base interactions energy: -134.673
where: short stacking energy: -79.693
Base-Backbone interact. energy: 0.505
local terms energy: -150.292140
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -45.294
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: 4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -955.763468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.763468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.763468 (E_RNA)
where:
Base-Base interactions energy: -666.791
where: short stacking energy: -294.815
Base-Backbone interact. energy: -1.259
local terms energy: -287.713785
where:
bonds (distance) C4'-P energy: -45.125
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -61.943
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -84.687
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: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -954.369699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.369699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.369699 (E_RNA)
where:
Base-Base interactions energy: -665.329
where: short stacking energy: -289.548
Base-Backbone interact. energy: -0.687
local terms energy: -288.353608
where:
bonds (distance) C4'-P energy: -45.987
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -43.259
tors. eta vs tors. theta energy: -87.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -902.486236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.486236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.486236 (E_RNA)
where:
Base-Base interactions energy: -622.014
where: short stacking energy: -268.235
Base-Backbone interact. energy: -0.445
local terms energy: -280.027265
where:
bonds (distance) C4'-P energy: -49.114
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -54.030
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -83.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -842.189504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.189504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.189504 (E_RNA)
where:
Base-Base interactions energy: -571.984
where: short stacking energy: -258.803
Base-Backbone interact. energy: 1.134
local terms energy: -271.339224
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -58.973
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: -74.633
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: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -813.685705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.685705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.685705 (E_RNA)
where:
Base-Base interactions energy: -558.475
where: short stacking energy: -242.762
Base-Backbone interact. energy: -0.059
local terms energy: -255.151901
where:
bonds (distance) C4'-P energy: -42.667
bonds (distance) P-C4' energy: -48.518
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -67.370
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: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -755.045121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.045121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.045121 (E_RNA)
where:
Base-Base interactions energy: -503.074
where: short stacking energy: -203.254
Base-Backbone interact. energy: -1.283
local terms energy: -250.688128
where:
bonds (distance) C4'-P energy: -49.043
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -50.106
flat angles P-C4'-P energy: -33.184
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: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -726.850036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.850036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.850036 (E_RNA)
where:
Base-Base interactions energy: -508.585
where: short stacking energy: -207.844
Base-Backbone interact. energy: -0.987
local terms energy: -217.277949
where:
bonds (distance) C4'-P energy: -34.671
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -37.651
tors. eta vs tors. theta energy: -52.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -706.577223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.577223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.577223 (E_RNA)
where:
Base-Base interactions energy: -473.918
where: short stacking energy: -200.900
Base-Backbone interact. energy: -0.661
local terms energy: -231.998062
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -51.043
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -63.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -480.746368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.746368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.746368 (E_RNA)
where:
Base-Base interactions energy: -288.472
where: short stacking energy: -145.381
Base-Backbone interact. energy: -0.127
local terms energy: -192.147289
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -47.920
flat angles P-C4'-P energy: -28.138
tors. eta vs tors. theta energy: -34.129
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: 360
Temperature: 1.350000
Total energy: -267.669346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.669346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.669346 (E_RNA)
where:
Base-Base interactions energy: -100.941
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.907
local terms energy: -165.820641
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -43.857
flat angles C4'-P-C4' energy: -45.539
flat angles P-C4'-P energy: -26.276
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -963.764744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.764744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.764744 (E_RNA)
where:
Base-Base interactions energy: -661.583
where: short stacking energy: -289.947
Base-Backbone interact. energy: -0.973
local terms energy: -301.208133
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -53.875
flat angles C4'-P-C4' energy: -61.611
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -91.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -906.387711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.387711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.387711 (E_RNA)
where:
Base-Base interactions energy: -622.115
where: short stacking energy: -269.204
Base-Backbone interact. energy: -0.038
local terms energy: -284.234870
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -48.568
flat angles C4'-P-C4' energy: -56.633
flat angles P-C4'-P energy: -43.491
tors. eta vs tors. theta energy: -77.115
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: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -917.761659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.761659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.761659 (E_RNA)
where:
Base-Base interactions energy: -651.525
where: short stacking energy: -286.313
Base-Backbone interact. energy: -1.224
local terms energy: -265.012954
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -40.269
flat angles C4'-P-C4' energy: -53.662
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -823.528472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.528472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.528472 (E_RNA)
where:
Base-Base interactions energy: -551.767
where: short stacking energy: -241.653
Base-Backbone interact. energy: -0.444
local terms energy: -271.316757
where:
bonds (distance) C4'-P energy: -50.566
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -54.137
flat angles P-C4'-P energy: -45.566
tors. eta vs tors. theta energy: -67.553
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: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -833.196535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.196535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.196535 (E_RNA)
where:
Base-Base interactions energy: -559.320
where: short stacking energy: -242.392
Base-Backbone interact. energy: -1.977
local terms energy: -271.899480
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -66.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -770.976838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.976838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.976838 (E_RNA)
where:
Base-Base interactions energy: -534.074
where: short stacking energy: -235.244
Base-Backbone interact. energy: -2.528
local terms energy: -234.375238
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -60.874
flat angles P-C4'-P energy: -32.484
tors. eta vs tors. theta energy: -58.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -729.937871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.937871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.937871 (E_RNA)
where:
Base-Base interactions energy: -505.548
where: short stacking energy: -207.577
Base-Backbone interact. energy: -1.216
local terms energy: -223.174638
where:
bonds (distance) C4'-P energy: -51.158
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -45.579
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -58.861
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: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -674.029017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.029017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.029017 (E_RNA)
where:
Base-Base interactions energy: -450.263
where: short stacking energy: -205.705
Base-Backbone interact. energy: -0.232
local terms energy: -223.534466
where:
bonds (distance) C4'-P energy: -45.674
bonds (distance) P-C4' energy: -44.996
flat angles C4'-P-C4' energy: -47.800
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -60.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -479.852798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.852798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.852798 (E_RNA)
where:
Base-Base interactions energy: -287.792
where: short stacking energy: -128.723
Base-Backbone interact. energy: -0.321
local terms energy: -191.740750
where:
bonds (distance) C4'-P energy: -42.849
bonds (distance) P-C4' energy: -56.235
flat angles C4'-P-C4' energy: -45.388
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -277.955060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.955060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.955060 (E_RNA)
where:
Base-Base interactions energy: -134.910
where: short stacking energy: -83.067
Base-Backbone interact. energy: 2.721
local terms energy: -145.765731
where:
bonds (distance) C4'-P energy: -49.638
bonds (distance) P-C4' energy: -35.779
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -2.060
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: 362
Temperature: 0.900000
Total energy: -967.458282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.458282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.458282 (E_RNA)
where:
Base-Base interactions energy: -661.139
where: short stacking energy: -291.940
Base-Backbone interact. energy: -1.072
local terms energy: -305.247282
where:
bonds (distance) C4'-P energy: -50.627
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -67.909
flat angles P-C4'-P energy: -47.074
tors. eta vs tors. theta energy: -87.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -922.999204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.999204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.999204 (E_RNA)
where:
Base-Base interactions energy: -642.504
where: short stacking energy: -260.079
Base-Backbone interact. energy: 0.023
local terms energy: -280.518836
where:
bonds (distance) C4'-P energy: -49.566
bonds (distance) P-C4' energy: -55.342
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -43.882
tors. eta vs tors. theta energy: -76.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -903.508722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.508722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.508722 (E_RNA)
where:
Base-Base interactions energy: -634.315
where: short stacking energy: -266.303
Base-Backbone interact. energy: -0.631
local terms energy: -268.562851
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -55.553
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -83.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -833.173527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.173527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.173527 (E_RNA)
where:
Base-Base interactions energy: -561.380
where: short stacking energy: -253.243
Base-Backbone interact. energy: -0.522
local terms energy: -271.271366
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -54.222
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -73.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -815.113796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.113796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.113796 (E_RNA)
where:
Base-Base interactions energy: -562.561
where: short stacking energy: -243.700
Base-Backbone interact. energy: -0.780
local terms energy: -251.772820
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -46.290
flat angles C4'-P-C4' energy: -55.361
flat angles P-C4'-P energy: -37.229
tors. eta vs tors. theta energy: -70.412
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: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -799.980296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.980296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.980296 (E_RNA)
where:
Base-Base interactions energy: -553.989
where: short stacking energy: -244.597
Base-Backbone interact. energy: 2.899
local terms energy: -248.890560
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -43.843
flat angles C4'-P-C4' energy: -61.013
flat angles P-C4'-P energy: -32.456
tors. eta vs tors. theta energy: -64.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -775.771351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.771351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.771351 (E_RNA)
where:
Base-Base interactions energy: -534.095
where: short stacking energy: -227.818
Base-Backbone interact. energy: -1.357
local terms energy: -240.319413
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -60.322
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -62.669
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -644.737429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.737429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.737429 (E_RNA)
where:
Base-Base interactions energy: -434.131
where: short stacking energy: -192.337
Base-Backbone interact. energy: -1.343
local terms energy: -209.263984
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -42.620
flat angles C4'-P-C4' energy: -45.250
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -51.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -492.003216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.003216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.003216 (E_RNA)
where:
Base-Base interactions energy: -302.962
where: short stacking energy: -145.229
Base-Backbone interact. energy: -0.247
local terms energy: -188.794696
where:
bonds (distance) C4'-P energy: -51.450
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -268.723436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.723436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.723436 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -83.764
Base-Backbone interact. energy: 2.522
local terms energy: -151.556100
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -39.769
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -7.442
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: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -966.897916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.897916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.897916 (E_RNA)
where:
Base-Base interactions energy: -667.086
where: short stacking energy: -280.701
Base-Backbone interact. energy: 1.601
local terms energy: -301.413448
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -59.238
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -49.309
tors. eta vs tors. theta energy: -85.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -951.812591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.812591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.812591 (E_RNA)
where:
Base-Base interactions energy: -642.047
where: short stacking energy: -283.740
Base-Backbone interact. energy: -2.401
local terms energy: -307.364144
where:
bonds (distance) C4'-P energy: -55.779
bonds (distance) P-C4' energy: -57.569
flat angles C4'-P-C4' energy: -64.902
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -88.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -941.274527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.274527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.274527 (E_RNA)
where:
Base-Base interactions energy: -657.798
where: short stacking energy: -287.284
Base-Backbone interact. energy: -0.770
local terms energy: -282.706763
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -52.809
flat angles C4'-P-C4' energy: -57.700
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -86.578
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: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -833.489650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.489650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.489650 (E_RNA)
where:
Base-Base interactions energy: -576.679
where: short stacking energy: -260.837
Base-Backbone interact. energy: 0.109
local terms energy: -256.920118
where:
bonds (distance) C4'-P energy: -32.807
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -62.003
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -67.486
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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -813.069628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.069628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.069628 (E_RNA)
where:
Base-Base interactions energy: -547.896
where: short stacking energy: -231.924
Base-Backbone interact. energy: 0.834
local terms energy: -266.006837
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -55.603
flat angles C4'-P-C4' energy: -59.367
flat angles P-C4'-P energy: -38.915
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: 363
Temperature: 1.150000
Total energy: -770.189300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.189300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.189300 (E_RNA)
where:
Base-Base interactions energy: -532.119
where: short stacking energy: -212.167
Base-Backbone interact. energy: -0.387
local terms energy: -237.683401
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -46.631
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -54.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -734.099364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.099364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.099364 (E_RNA)
where:
Base-Base interactions energy: -490.859
where: short stacking energy: -209.767
Base-Backbone interact. energy: -0.504
local terms energy: -242.735926
where:
bonds (distance) C4'-P energy: -52.847
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -52.850
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -70.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -638.404572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.404572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.404572 (E_RNA)
where:
Base-Base interactions energy: -421.413
where: short stacking energy: -182.098
Base-Backbone interact. energy: -2.900
local terms energy: -214.092315
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -55.762
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: -47.013
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: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -484.720099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.720099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.720099 (E_RNA)
where:
Base-Base interactions energy: -297.417
where: short stacking energy: -158.776
Base-Backbone interact. energy: -0.002
local terms energy: -187.300642
where:
bonds (distance) C4'-P energy: -30.194
bonds (distance) P-C4' energy: -43.764
flat angles C4'-P-C4' energy: -46.678
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -33.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -269.021630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.021630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.021630 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -93.888
Base-Backbone interact. energy: 0.979
local terms energy: -138.348480
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -42.615
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -958.356358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.356358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.356358 (E_RNA)
where:
Base-Base interactions energy: -673.048
where: short stacking energy: -290.209
Base-Backbone interact. energy: 0.688
local terms energy: -285.996102
where:
bonds (distance) C4'-P energy: -50.645
bonds (distance) P-C4' energy: -47.481
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -83.497
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -926.673591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.673591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.673591 (E_RNA)
where:
Base-Base interactions energy: -643.088
where: short stacking energy: -277.740
Base-Backbone interact. energy: -2.589
local terms energy: -280.996685
where:
bonds (distance) C4'-P energy: -45.456
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -64.141
flat angles P-C4'-P energy: -41.878
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -918.445014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.445014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.445014 (E_RNA)
where:
Base-Base interactions energy: -645.411
where: short stacking energy: -281.739
Base-Backbone interact. energy: 0.222
local terms energy: -273.256392
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -50.301
flat angles C4'-P-C4' energy: -57.864
flat angles P-C4'-P energy: -33.307
tors. eta vs tors. theta energy: -84.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -827.993419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.993419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.993419 (E_RNA)
where:
Base-Base interactions energy: -560.949
where: short stacking energy: -239.813
Base-Backbone interact. energy: -1.771
local terms energy: -265.272861
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -69.866
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: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -831.378939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.378939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.378939 (E_RNA)
where:
Base-Base interactions energy: -558.901
where: short stacking energy: -258.786
Base-Backbone interact. energy: -0.578
local terms energy: -271.899583
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -76.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -795.806314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.806314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.806314 (E_RNA)
where:
Base-Base interactions energy: -530.502
where: short stacking energy: -245.165
Base-Backbone interact. energy: -0.281
local terms energy: -265.023405
where:
bonds (distance) C4'-P energy: -55.851
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -55.082
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -68.691
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: 364
Temperature: 1.200000
Total energy: -765.685981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.685981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.685981 (E_RNA)
where:
Base-Base interactions energy: -532.285
where: short stacking energy: -222.718
Base-Backbone interact. energy: -2.422
local terms energy: -230.978694
where:
bonds (distance) C4'-P energy: -43.085
bonds (distance) P-C4' energy: -41.570
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -53.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -654.796309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.796309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.796309 (E_RNA)
where:
Base-Base interactions energy: -435.417
where: short stacking energy: -189.692
Base-Backbone interact. energy: -1.420
local terms energy: -217.959386
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -45.453
flat angles C4'-P-C4' energy: -49.460
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -43.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -499.139160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.139160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.139160 (E_RNA)
where:
Base-Base interactions energy: -319.212
where: short stacking energy: -143.500
Base-Backbone interact. energy: 2.892
local terms energy: -182.818984
where:
bonds (distance) C4'-P energy: -34.536
bonds (distance) P-C4' energy: -51.012
flat angles C4'-P-C4' energy: -45.550
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -24.497
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: 364
Temperature: 1.350000
Total energy: -301.872822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.872822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.872822 (E_RNA)
where:
Base-Base interactions energy: -141.914
where: short stacking energy: -90.872
Base-Backbone interact. energy: -1.693
local terms energy: -158.265746
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -956.719099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.719099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.719099 (E_RNA)
where:
Base-Base interactions energy: -651.074
where: short stacking energy: -274.493
Base-Backbone interact. energy: 1.149
local terms energy: -306.794067
where:
bonds (distance) C4'-P energy: -59.874
bonds (distance) P-C4' energy: -49.107
flat angles C4'-P-C4' energy: -64.524
flat angles P-C4'-P energy: -48.434
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: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -944.838530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.838530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.838530 (E_RNA)
where:
Base-Base interactions energy: -654.828
where: short stacking energy: -276.905
Base-Backbone interact. energy: -0.896
local terms energy: -289.114428
where:
bonds (distance) C4'-P energy: -50.792
bonds (distance) P-C4' energy: -56.981
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -41.354
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -909.518391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.518391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.518391 (E_RNA)
where:
Base-Base interactions energy: -620.045
where: short stacking energy: -272.951
Base-Backbone interact. energy: -0.893
local terms energy: -288.581079
where:
bonds (distance) C4'-P energy: -46.102
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -82.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -828.916009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.916009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.916009 (E_RNA)
where:
Base-Base interactions energy: -582.333
where: short stacking energy: -234.310
Base-Backbone interact. energy: -0.733
local terms energy: -245.850399
where:
bonds (distance) C4'-P energy: -45.700
bonds (distance) P-C4' energy: -44.709
flat angles C4'-P-C4' energy: -50.561
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -68.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -834.843413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.843413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.843413 (E_RNA)
where:
Base-Base interactions energy: -569.439
where: short stacking energy: -239.614
Base-Backbone interact. energy: -0.728
local terms energy: -264.675731
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -53.702
flat angles C4'-P-C4' energy: -57.582
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -68.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -780.469804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.469804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.469804 (E_RNA)
where:
Base-Base interactions energy: -538.429
where: short stacking energy: -226.091
Base-Backbone interact. energy: -0.497
local terms energy: -241.543640
where:
bonds (distance) C4'-P energy: -40.577
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -35.156
tors. eta vs tors. theta energy: -59.660
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: 365
Temperature: 1.200000
Total energy: -769.911261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.911261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.911261 (E_RNA)
where:
Base-Base interactions energy: -528.927
where: short stacking energy: -230.236
Base-Backbone interact. energy: 1.211
local terms energy: -242.195143
where:
bonds (distance) C4'-P energy: -53.969
bonds (distance) P-C4' energy: -43.032
flat angles C4'-P-C4' energy: -48.684
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -62.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -652.972107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.972107 (E_RNA)
where:
Base-Base interactions energy: -426.097
where: short stacking energy: -191.436
Base-Backbone interact. energy: -0.174
local terms energy: -226.701102
where:
bonds (distance) C4'-P energy: -56.307
bonds (distance) P-C4' energy: -41.388
flat angles C4'-P-C4' energy: -49.260
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: -45.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -456.261323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.261323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.261323 (E_RNA)
where:
Base-Base interactions energy: -260.862
where: short stacking energy: -128.667
Base-Backbone interact. energy: 0.078
local terms energy: -195.477142
where:
bonds (distance) C4'-P energy: -44.417
bonds (distance) P-C4' energy: -57.937
flat angles C4'-P-C4' energy: -35.364
flat angles P-C4'-P energy: -36.192
tors. eta vs tors. theta energy: -21.567
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: 365
Temperature: 1.350000
Total energy: -266.956013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.956013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.956013 (E_RNA)
where:
Base-Base interactions energy: -118.043
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.093
local terms energy: -148.819531
where:
bonds (distance) C4'-P energy: -38.952
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -957.662416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.662416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.662416 (E_RNA)
where:
Base-Base interactions energy: -656.822
where: short stacking energy: -280.101
Base-Backbone interact. energy: -0.578
local terms energy: -300.262831
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -43.356
tors. eta vs tors. theta energy: -84.960
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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -930.716984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.716984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.716984 (E_RNA)
where:
Base-Base interactions energy: -662.720
where: short stacking energy: -292.127
Base-Backbone interact. energy: 1.715
local terms energy: -269.711502
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -48.630
flat angles C4'-P-C4' energy: -56.926
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -88.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -861.596838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.596838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.596838 (E_RNA)
where:
Base-Base interactions energy: -589.092
where: short stacking energy: -252.610
Base-Backbone interact. energy: -0.426
local terms energy: -272.078862
where:
bonds (distance) C4'-P energy: -45.402
bonds (distance) P-C4' energy: -54.354
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -71.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -891.693913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.693913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.693913 (E_RNA)
where:
Base-Base interactions energy: -611.966
where: short stacking energy: -252.159
Base-Backbone interact. energy: 0.738
local terms energy: -280.466208
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -45.838
flat angles C4'-P-C4' energy: -52.241
flat angles P-C4'-P energy: -48.608
tors. eta vs tors. theta energy: -80.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -824.007288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.007288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.007288 (E_RNA)
where:
Base-Base interactions energy: -539.038
where: short stacking energy: -221.342
Base-Backbone interact. energy: -0.881
local terms energy: -284.087768
where:
bonds (distance) C4'-P energy: -52.104
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -72.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -782.045032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.045032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.045032 (E_RNA)
where:
Base-Base interactions energy: -540.512
where: short stacking energy: -224.396
Base-Backbone interact. energy: -0.052
local terms energy: -241.481787
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -42.798
flat angles C4'-P-C4' energy: -55.810
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -62.062
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -661.955645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.955645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.955645 (E_RNA)
where:
Base-Base interactions energy: -434.189
where: short stacking energy: -182.217
Base-Backbone interact. energy: -0.797
local terms energy: -226.970395
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -43.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -740.464483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.464483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.464483 (E_RNA)
where:
Base-Base interactions energy: -503.195
where: short stacking energy: -224.028
Base-Backbone interact. energy: -0.502
local terms energy: -236.767517
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -34.479
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: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -444.356963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.356963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.356963 (E_RNA)
where:
Base-Base interactions energy: -254.419
where: short stacking energy: -124.670
Base-Backbone interact. energy: -1.970
local terms energy: -187.967903
where:
bonds (distance) C4'-P energy: -39.500
bonds (distance) P-C4' energy: -51.469
flat angles C4'-P-C4' energy: -51.077
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -16.092
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: 366
Temperature: 1.350000
Total energy: -242.026398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.026398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.026398 (E_RNA)
where:
Base-Base interactions energy: -99.394
where: short stacking energy: -55.530
Base-Backbone interact. energy: -0.438
local terms energy: -142.193644
where:
bonds (distance) C4'-P energy: -48.701
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -42.170
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: 11.401
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: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -955.095662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.095662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.095662 (E_RNA)
where:
Base-Base interactions energy: -656.213
where: short stacking energy: -290.615
Base-Backbone interact. energy: -1.266
local terms energy: -297.616659
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -48.001
tors. eta vs tors. theta energy: -91.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -889.898323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.898323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.898323 (E_RNA)
where:
Base-Base interactions energy: -605.455
where: short stacking energy: -270.220
Base-Backbone interact. energy: -0.783
local terms energy: -283.659590
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -57.633
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -73.621
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: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -922.613338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.613338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.613338 (E_RNA)
where:
Base-Base interactions energy: -638.268
where: short stacking energy: -281.442
Base-Backbone interact. energy: 0.451
local terms energy: -284.796187
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -58.824
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -39.369
tors. eta vs tors. theta energy: -85.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -902.550116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.550116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.550116 (E_RNA)
where:
Base-Base interactions energy: -639.402
where: short stacking energy: -276.753
Base-Backbone interact. energy: -0.697
local terms energy: -262.451069
where:
bonds (distance) C4'-P energy: -42.763
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -59.158
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -77.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -830.622317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.622317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.622317 (E_RNA)
where:
Base-Base interactions energy: -580.248
where: short stacking energy: -261.340
Base-Backbone interact. energy: -0.373
local terms energy: -250.001944
where:
bonds (distance) C4'-P energy: -40.828
bonds (distance) P-C4' energy: -54.528
flat angles C4'-P-C4' energy: -59.555
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: -70.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -735.637236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.637236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.637236 (E_RNA)
where:
Base-Base interactions energy: -495.223
where: short stacking energy: -225.302
Base-Backbone interact. energy: -0.881
local terms energy: -239.533044
where:
bonds (distance) C4'-P energy: -37.749
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -71.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -681.006862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.006862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.006862 (E_RNA)
where:
Base-Base interactions energy: -450.669
where: short stacking energy: -197.354
Base-Backbone interact. energy: -0.655
local terms energy: -229.683614
where:
bonds (distance) C4'-P energy: -45.558
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -52.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -711.360981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.360981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.360981 (E_RNA)
where:
Base-Base interactions energy: -487.759
where: short stacking energy: -201.482
Base-Backbone interact. energy: 0.229
local terms energy: -223.830334
where:
bonds (distance) C4'-P energy: -39.383
bonds (distance) P-C4' energy: -44.239
flat angles C4'-P-C4' energy: -45.219
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -53.470
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: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -446.077843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.077843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.077843 (E_RNA)
where:
Base-Base interactions energy: -259.238
where: short stacking energy: -124.906
Base-Backbone interact. energy: 0.744
local terms energy: -187.583953
where:
bonds (distance) C4'-P energy: -52.087
bonds (distance) P-C4' energy: -51.034
flat angles C4'-P-C4' energy: -37.064
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -228.383110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.383110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.383110 (E_RNA)
where:
Base-Base interactions energy: -66.210
where: short stacking energy: -66.193
Base-Backbone interact. energy: -1.579
local terms energy: -160.593554
where:
bonds (distance) C4'-P energy: -45.972
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -0.121
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: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -959.568630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.568630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.568630 (E_RNA)
where:
Base-Base interactions energy: -663.366
where: short stacking energy: -284.603
Base-Backbone interact. energy: -0.160
local terms energy: -296.042129
where:
bonds (distance) C4'-P energy: -53.585
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -55.946
flat angles P-C4'-P energy: -42.137
tors. eta vs tors. theta energy: -84.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -881.523794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.523794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.523794 (E_RNA)
where:
Base-Base interactions energy: -601.008
where: short stacking energy: -274.381
Base-Backbone interact. energy: -1.876
local terms energy: -278.639849
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -53.208
flat angles C4'-P-C4' energy: -66.034
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -72.521
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: 368
Temperature: 1.000000
Total energy: -921.863154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.863154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.863154 (E_RNA)
where:
Base-Base interactions energy: -651.646
where: short stacking energy: -278.461
Base-Backbone interact. energy: -0.507
local terms energy: -269.709973
where:
bonds (distance) C4'-P energy: -42.565
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -85.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -911.605603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.605603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.605603 (E_RNA)
where:
Base-Base interactions energy: -641.418
where: short stacking energy: -263.649
Base-Backbone interact. energy: -1.259
local terms energy: -268.927869
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -59.169
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -84.976
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: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -818.228176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.228176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.228176 (E_RNA)
where:
Base-Base interactions energy: -541.239
where: short stacking energy: -223.911
Base-Backbone interact. energy: -1.205
local terms energy: -275.783908
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -59.617
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -71.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -748.457630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.457630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.457630 (E_RNA)
where:
Base-Base interactions energy: -493.699
where: short stacking energy: -213.865
Base-Backbone interact. energy: -0.416
local terms energy: -254.342524
where:
bonds (distance) C4'-P energy: -53.020
bonds (distance) P-C4' energy: -48.658
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -64.223
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: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -736.638808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.638808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.638808 (E_RNA)
where:
Base-Base interactions energy: -512.147
where: short stacking energy: -223.102
Base-Backbone interact. energy: 1.581
local terms energy: -226.073302
where:
bonds (distance) C4'-P energy: -46.404
bonds (distance) P-C4' energy: -41.163
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -53.620
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: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -608.775004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.775004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.775004 (E_RNA)
where:
Base-Base interactions energy: -416.549
where: short stacking energy: -182.728
Base-Backbone interact. energy: -0.696
local terms energy: -191.529913
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -47.140
flat angles C4'-P-C4' energy: -50.520
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -37.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -463.393591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.393591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.393591 (E_RNA)
where:
Base-Base interactions energy: -303.343
where: short stacking energy: -146.855
Base-Backbone interact. energy: -1.170
local terms energy: -158.880238
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -42.284
flat angles C4'-P-C4' energy: -32.900
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -232.210278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.210278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.210278 (E_RNA)
where:
Base-Base interactions energy: -76.483
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.926
local terms energy: -154.800921
where:
bonds (distance) C4'-P energy: -37.684
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -973.379505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.379505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.379505 (E_RNA)
where:
Base-Base interactions energy: -665.521
where: short stacking energy: -277.848
Base-Backbone interact. energy: -1.945
local terms energy: -305.914298
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -59.260
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -45.288
tors. eta vs tors. theta energy: -88.185
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: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -938.920788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.920788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.920788 (E_RNA)
where:
Base-Base interactions energy: -646.068
where: short stacking energy: -285.403
Base-Backbone interact. energy: 1.162
local terms energy: -294.014774
where:
bonds (distance) C4'-P energy: -49.059
bonds (distance) P-C4' energy: -59.037
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -85.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -861.350561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.350561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.350561 (E_RNA)
where:
Base-Base interactions energy: -594.140
where: short stacking energy: -249.614
Base-Backbone interact. energy: 0.009
local terms energy: -267.219847
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -54.417
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -65.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -875.943347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.943347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.943347 (E_RNA)
where:
Base-Base interactions energy: -619.924
where: short stacking energy: -247.492
Base-Backbone interact. energy: -1.406
local terms energy: -254.613737
where:
bonds (distance) C4'-P energy: -53.199
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -48.053
flat angles P-C4'-P energy: -40.599
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: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -834.931287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.931287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.931287 (E_RNA)
where:
Base-Base interactions energy: -570.154
where: short stacking energy: -250.218
Base-Backbone interact. energy: -1.707
local terms energy: -263.069944
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -41.900
flat angles C4'-P-C4' energy: -59.425
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -71.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -757.735547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.735547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.735547 (E_RNA)
where:
Base-Base interactions energy: -506.788
where: short stacking energy: -226.942
Base-Backbone interact. energy: -0.266
local terms energy: -250.681774
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -54.751
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -67.475
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: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -743.352836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.352836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.352836 (E_RNA)
where:
Base-Base interactions energy: -506.694
where: short stacking energy: -222.749
Base-Backbone interact. energy: -0.632
local terms energy: -236.027010
where:
bonds (distance) C4'-P energy: -46.813
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -48.600
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -60.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -550.120565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.120565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.120565 (E_RNA)
where:
Base-Base interactions energy: -339.970
where: short stacking energy: -178.119
Base-Backbone interact. energy: -1.036
local terms energy: -209.114551
where:
bonds (distance) C4'-P energy: -45.170
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -53.087
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -39.229
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: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -565.824760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.824760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.824760 (E_RNA)
where:
Base-Base interactions energy: -375.956
where: short stacking energy: -144.168
Base-Backbone interact. energy: 0.263
local terms energy: -190.131936
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -44.059
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -231.433820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.433820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.433820 (E_RNA)
where:
Base-Base interactions energy: -90.569
where: short stacking energy: -65.961
Base-Backbone interact. energy: 1.361
local terms energy: -142.225893
where:
bonds (distance) C4'-P energy: -42.505
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -47.070
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: 7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -969.551970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.551970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.551970 (E_RNA)
where:
Base-Base interactions energy: -666.682
where: short stacking energy: -287.743
Base-Backbone interact. energy: -0.827
local terms energy: -302.042393
where:
bonds (distance) C4'-P energy: -53.862
bonds (distance) P-C4' energy: -55.473
flat angles C4'-P-C4' energy: -57.365
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -93.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -931.208097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.208097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.208097 (E_RNA)
where:
Base-Base interactions energy: -640.136
where: short stacking energy: -291.122
Base-Backbone interact. energy: -3.187
local terms energy: -287.884636
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -53.439
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -44.217
tors. eta vs tors. theta energy: -85.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -900.922039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.922039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.922039 (E_RNA)
where:
Base-Base interactions energy: -610.262
where: short stacking energy: -285.343
Base-Backbone interact. energy: 2.033
local terms energy: -292.693027
where:
bonds (distance) C4'-P energy: -51.655
bonds (distance) P-C4' energy: -57.404
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -34.526
tors. eta vs tors. theta energy: -83.291
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: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -858.630502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.630502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.630502 (E_RNA)
where:
Base-Base interactions energy: -599.794
where: short stacking energy: -267.270
Base-Backbone interact. energy: -1.216
local terms energy: -257.621398
where:
bonds (distance) C4'-P energy: -38.948
bonds (distance) P-C4' energy: -50.052
flat angles C4'-P-C4' energy: -57.640
flat angles P-C4'-P energy: -40.271
tors. eta vs tors. theta energy: -70.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -824.479433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.479433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.479433 (E_RNA)
where:
Base-Base interactions energy: -560.286
where: short stacking energy: -251.156
Base-Backbone interact. energy: -1.184
local terms energy: -263.009640
where:
bonds (distance) C4'-P energy: -44.880
bonds (distance) P-C4' energy: -41.764
flat angles C4'-P-C4' energy: -62.717
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -69.218
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: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -754.332338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.332338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.332338 (E_RNA)
where:
Base-Base interactions energy: -505.828
where: short stacking energy: -212.483
Base-Backbone interact. energy: -1.470
local terms energy: -247.034330
where:
bonds (distance) C4'-P energy: -38.456
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -72.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -724.469854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.469854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.469854 (E_RNA)
where:
Base-Base interactions energy: -487.548
where: short stacking energy: -199.297
Base-Backbone interact. energy: -0.744
local terms energy: -236.178454
where:
bonds (distance) C4'-P energy: -50.655
bonds (distance) P-C4' energy: -49.587
flat angles C4'-P-C4' energy: -52.629
flat angles P-C4'-P energy: -26.373
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: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -535.593945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.593945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.593945 (E_RNA)
where:
Base-Base interactions energy: -336.894
where: short stacking energy: -151.160
Base-Backbone interact. energy: -0.307
local terms energy: -198.393150
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -47.438
flat angles P-C4'-P energy: -38.340
tors. eta vs tors. theta energy: -29.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -544.589465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.589465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.589465 (E_RNA)
where:
Base-Base interactions energy: -362.953
where: short stacking energy: -161.206
Base-Backbone interact. energy: -0.317
local terms energy: -181.319160
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -34.313
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: 370
Temperature: 1.350000
Total energy: -253.453537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.453537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.453537 (E_RNA)
where:
Base-Base interactions energy: -94.356
where: short stacking energy: -85.712
Base-Backbone interact. energy: -0.741
local terms energy: -158.355959
where:
bonds (distance) C4'-P energy: -38.843
bonds (distance) P-C4' energy: -49.816
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -969.320872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.320872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.320872 (E_RNA)
where:
Base-Base interactions energy: -670.064
where: short stacking energy: -290.374
Base-Backbone interact. energy: -2.080
local terms energy: -297.177091
where:
bonds (distance) C4'-P energy: -55.211
bonds (distance) P-C4' energy: -50.158
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -87.030
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: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -932.321716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.321716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.321716 (E_RNA)
where:
Base-Base interactions energy: -643.301
where: short stacking energy: -297.076
Base-Backbone interact. energy: -0.667
local terms energy: -288.353354
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -60.636
flat angles P-C4'-P energy: -44.067
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: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -908.500475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.500475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.500475 (E_RNA)
where:
Base-Base interactions energy: -611.574
where: short stacking energy: -257.111
Base-Backbone interact. energy: -1.372
local terms energy: -295.554835
where:
bonds (distance) C4'-P energy: -54.890
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -56.590
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -85.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -854.674013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.674013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.674013 (E_RNA)
where:
Base-Base interactions energy: -585.753
where: short stacking energy: -246.013
Base-Backbone interact. energy: 0.844
local terms energy: -269.765268
where:
bonds (distance) C4'-P energy: -42.986
bonds (distance) P-C4' energy: -51.306
flat angles C4'-P-C4' energy: -64.570
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -70.007
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: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -818.286594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.286594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.286594 (E_RNA)
where:
Base-Base interactions energy: -571.552
where: short stacking energy: -235.765
Base-Backbone interact. energy: -1.373
local terms energy: -245.361530
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -33.818
tors. eta vs tors. theta energy: -60.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -768.120753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.120753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.120753 (E_RNA)
where:
Base-Base interactions energy: -530.981
where: short stacking energy: -212.442
Base-Backbone interact. energy: -0.419
local terms energy: -236.720944
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -51.854
flat angles C4'-P-C4' energy: -46.489
flat angles P-C4'-P energy: -26.343
tors. eta vs tors. theta energy: -62.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -735.285669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.285669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.285669 (E_RNA)
where:
Base-Base interactions energy: -491.345
where: short stacking energy: -206.796
Base-Backbone interact. energy: -0.390
local terms energy: -243.550635
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -51.062
flat angles C4'-P-C4' energy: -54.696
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -50.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -561.760420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.760420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.760420 (E_RNA)
where:
Base-Base interactions energy: -342.900
where: short stacking energy: -139.459
Base-Backbone interact. energy: -0.155
local terms energy: -218.705230
where:
bonds (distance) C4'-P energy: -46.903
bonds (distance) P-C4' energy: -52.910
flat angles C4'-P-C4' energy: -55.785
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -37.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -510.084513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.084513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.084513 (E_RNA)
where:
Base-Base interactions energy: -327.702
where: short stacking energy: -158.096
Base-Backbone interact. energy: -0.503
local terms energy: -181.879103
where:
bonds (distance) C4'-P energy: -32.147
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -42.082
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -33.289
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: 371
Temperature: 1.350000
Total energy: -226.317419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.317419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.317419 (E_RNA)
where:
Base-Base interactions energy: -76.947
where: short stacking energy: -73.197
Base-Backbone interact. energy: 2.262
local terms energy: -151.632356
where:
bonds (distance) C4'-P energy: -47.692
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: 1.527
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: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -945.503649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.503649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.503649 (E_RNA)
where:
Base-Base interactions energy: -636.259
where: short stacking energy: -284.125
Base-Backbone interact. energy: -1.004
local terms energy: -308.240916
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -59.143
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -44.563
tors. eta vs tors. theta energy: -91.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -953.329860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.329860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.329860 (E_RNA)
where:
Base-Base interactions energy: -659.440
where: short stacking energy: -284.421
Base-Backbone interact. energy: -1.096
local terms energy: -292.794175
where:
bonds (distance) C4'-P energy: -48.510
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -64.286
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -87.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -938.298139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.298139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.298139 (E_RNA)
where:
Base-Base interactions energy: -654.263
where: short stacking energy: -280.369
Base-Backbone interact. energy: 0.526
local terms energy: -284.560836
where:
bonds (distance) C4'-P energy: -40.041
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -62.840
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -81.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -848.053290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.053290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.053290 (E_RNA)
where:
Base-Base interactions energy: -581.246
where: short stacking energy: -248.891
Base-Backbone interact. energy: 0.031
local terms energy: -266.838409
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -55.070
flat angles C4'-P-C4' energy: -52.875
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -71.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -822.207684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.207684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.207684 (E_RNA)
where:
Base-Base interactions energy: -562.741
where: short stacking energy: -239.988
Base-Backbone interact. energy: -1.021
local terms energy: -258.445332
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -41.221
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -39.456
tors. eta vs tors. theta energy: -67.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -781.395548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.395548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.395548 (E_RNA)
where:
Base-Base interactions energy: -539.657
where: short stacking energy: -224.560
Base-Backbone interact. energy: -1.437
local terms energy: -240.301158
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -44.228
flat angles C4'-P-C4' energy: -49.349
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: -68.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -733.747990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.747990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.747990 (E_RNA)
where:
Base-Base interactions energy: -491.998
where: short stacking energy: -216.352
Base-Backbone interact. energy: -0.834
local terms energy: -240.915529
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -54.415
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: -61.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -560.760369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.760369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.760369 (E_RNA)
where:
Base-Base interactions energy: -352.206
where: short stacking energy: -155.450
Base-Backbone interact. energy: -0.868
local terms energy: -207.686977
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -50.873
flat angles C4'-P-C4' energy: -47.426
flat angles P-C4'-P energy: -31.242
tors. eta vs tors. theta energy: -37.418
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: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -490.219598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.219598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.219598 (E_RNA)
where:
Base-Base interactions energy: -305.250
where: short stacking energy: -144.610
Base-Backbone interact. energy: 2.898
local terms energy: -187.867359
where:
bonds (distance) C4'-P energy: -42.059
bonds (distance) P-C4' energy: -58.598
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -32.218
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -225.655974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.655974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.655974 (E_RNA)
where:
Base-Base interactions energy: -91.392
where: short stacking energy: -78.095
Base-Backbone interact. energy: 2.272
local terms energy: -136.536077
where:
bonds (distance) C4'-P energy: -46.508
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: 6.532
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -945.999795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.999795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.999795 (E_RNA)
where:
Base-Base interactions energy: -637.798
where: short stacking energy: -275.370
Base-Backbone interact. energy: 0.517
local terms energy: -308.718425
where:
bonds (distance) C4'-P energy: -61.283
bonds (distance) P-C4' energy: -60.523
flat angles C4'-P-C4' energy: -60.556
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -88.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -958.358094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.358094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.358094 (E_RNA)
where:
Base-Base interactions energy: -668.814
where: short stacking energy: -274.240
Base-Backbone interact. energy: -0.896
local terms energy: -288.648287
where:
bonds (distance) C4'-P energy: -57.182
bonds (distance) P-C4' energy: -52.163
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -80.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -939.979184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.979184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.979184 (E_RNA)
where:
Base-Base interactions energy: -656.858
where: short stacking energy: -285.955
Base-Backbone interact. energy: -0.702
local terms energy: -282.418822
where:
bonds (distance) C4'-P energy: -46.100
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -56.188
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -87.211
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: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -862.499604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.499604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.499604 (E_RNA)
where:
Base-Base interactions energy: -594.557
where: short stacking energy: -261.340
Base-Backbone interact. energy: 1.670
local terms energy: -269.612577
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -44.731
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -39.828
tors. eta vs tors. theta energy: -75.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -851.648729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.648729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.648729 (E_RNA)
where:
Base-Base interactions energy: -587.128
where: short stacking energy: -226.162
Base-Backbone interact. energy: 1.496
local terms energy: -266.016280
where:
bonds (distance) C4'-P energy: -51.969
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -52.881
flat angles P-C4'-P energy: -39.018
tors. eta vs tors. theta energy: -67.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -788.617503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.617503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.617503 (E_RNA)
where:
Base-Base interactions energy: -547.805
where: short stacking energy: -236.830
Base-Backbone interact. energy: -0.608
local terms energy: -240.203867
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -47.787
flat angles C4'-P-C4' energy: -51.141
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -69.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -733.468265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.468265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.468265 (E_RNA)
where:
Base-Base interactions energy: -490.828
where: short stacking energy: -215.018
Base-Backbone interact. energy: -1.261
local terms energy: -241.378700
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -52.600
flat angles P-C4'-P energy: -38.284
tors. eta vs tors. theta energy: -62.372
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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -521.959491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.959491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.959491 (E_RNA)
where:
Base-Base interactions energy: -319.179
where: short stacking energy: -127.319
Base-Backbone interact. energy: 1.363
local terms energy: -204.142777
where:
bonds (distance) C4'-P energy: -47.312
bonds (distance) P-C4' energy: -50.070
flat angles C4'-P-C4' energy: -48.457
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -563.323976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.323976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.323976 (E_RNA)
where:
Base-Base interactions energy: -354.820
where: short stacking energy: -150.610
Base-Backbone interact. energy: 2.759
local terms energy: -211.262802
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -50.927
flat angles C4'-P-C4' energy: -47.151
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -39.118
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: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -235.011301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.011301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.011301 (E_RNA)
where:
Base-Base interactions energy: -83.898
where: short stacking energy: -62.158
Base-Backbone interact. energy: -1.160
local terms energy: -149.953432
where:
bonds (distance) C4'-P energy: -45.068
bonds (distance) P-C4' energy: -52.878
flat angles C4'-P-C4' energy: -47.358
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: 6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -963.224219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.224219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.224219 (E_RNA)
where:
Base-Base interactions energy: -675.561
where: short stacking energy: -283.398
Base-Backbone interact. energy: -0.555
local terms energy: -287.107894
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -86.759
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -919.454499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.454499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.454499 (E_RNA)
where:
Base-Base interactions energy: -632.305
where: short stacking energy: -272.125
Base-Backbone interact. energy: -0.719
local terms energy: -286.429859
where:
bonds (distance) C4'-P energy: -53.819
bonds (distance) P-C4' energy: -49.782
flat angles C4'-P-C4' energy: -59.065
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: -85.547
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: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -905.148464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.148464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.148464 (E_RNA)
where:
Base-Base interactions energy: -629.833
where: short stacking energy: -264.158
Base-Backbone interact. energy: -1.197
local terms energy: -274.117948
where:
bonds (distance) C4'-P energy: -48.716
bonds (distance) P-C4' energy: -53.159
flat angles C4'-P-C4' energy: -55.788
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -77.381
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: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -855.580641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.580641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.580641 (E_RNA)
where:
Base-Base interactions energy: -570.994
where: short stacking energy: -252.393
Base-Backbone interact. energy: -0.660
local terms energy: -283.926415
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -45.133
tors. eta vs tors. theta energy: -74.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -836.052803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.052803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.052803 (E_RNA)
where:
Base-Base interactions energy: -574.435
where: short stacking energy: -243.446
Base-Backbone interact. energy: 1.054
local terms energy: -262.672256
where:
bonds (distance) C4'-P energy: -52.354
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -56.253
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -69.688
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: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -769.624930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.624930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.624930 (E_RNA)
where:
Base-Base interactions energy: -525.513
where: short stacking energy: -230.953
Base-Backbone interact. energy: -1.012
local terms energy: -243.099833
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -50.458
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -60.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -733.162682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.162682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.162682 (E_RNA)
where:
Base-Base interactions energy: -504.555
where: short stacking energy: -209.245
Base-Backbone interact. energy: -0.074
local terms energy: -228.533132
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -57.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -522.006245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.006245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.006245 (E_RNA)
where:
Base-Base interactions energy: -339.104
where: short stacking energy: -154.116
Base-Backbone interact. energy: 1.503
local terms energy: -184.404973
where:
bonds (distance) C4'-P energy: -40.348
bonds (distance) P-C4' energy: -46.102
flat angles C4'-P-C4' energy: -47.008
flat angles P-C4'-P energy: -21.026
tors. eta vs tors. theta energy: -29.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -558.768772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.768772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.768772 (E_RNA)
where:
Base-Base interactions energy: -362.075
where: short stacking energy: -166.492
Base-Backbone interact. energy: 4.844
local terms energy: -201.538195
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -40.910
flat angles P-C4'-P energy: -40.666
tors. eta vs tors. theta energy: -26.807
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: 374
Temperature: 1.350000
Total energy: -222.729479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.729479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.729479 (E_RNA)
where:
Base-Base interactions energy: -86.212
where: short stacking energy: -62.324
Base-Backbone interact. energy: 0.822
local terms energy: -137.339411
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: 12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -972.766732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.766732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.766732 (E_RNA)
where:
Base-Base interactions energy: -677.048
where: short stacking energy: -272.721
Base-Backbone interact. energy: -1.012
local terms energy: -294.707043
where:
bonds (distance) C4'-P energy: -43.400
bonds (distance) P-C4' energy: -57.627
flat angles C4'-P-C4' energy: -63.249
flat angles P-C4'-P energy: -42.516
tors. eta vs tors. theta energy: -87.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -908.149654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.149654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.149654 (E_RNA)
where:
Base-Base interactions energy: -620.489
where: short stacking energy: -273.943
Base-Backbone interact. energy: -2.176
local terms energy: -285.484255
where:
bonds (distance) C4'-P energy: -51.657
bonds (distance) P-C4' energy: -57.149
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -82.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -891.884407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.884407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.884407 (E_RNA)
where:
Base-Base interactions energy: -626.293
where: short stacking energy: -254.715
Base-Backbone interact. energy: 2.643
local terms energy: -268.234773
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -61.928
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -71.256
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -848.674948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.674948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.674948 (E_RNA)
where:
Base-Base interactions energy: -585.028
where: short stacking energy: -256.304
Base-Backbone interact. energy: -0.802
local terms energy: -262.844874
where:
bonds (distance) C4'-P energy: -53.306
bonds (distance) P-C4' energy: -43.555
flat angles C4'-P-C4' energy: -53.674
flat angles P-C4'-P energy: -39.134
tors. eta vs tors. theta energy: -73.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -833.934591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.934591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.934591 (E_RNA)
where:
Base-Base interactions energy: -581.569
where: short stacking energy: -234.888
Base-Backbone interact. energy: -1.158
local terms energy: -251.208297
where:
bonds (distance) C4'-P energy: -43.603
bonds (distance) P-C4' energy: -45.466
flat angles C4'-P-C4' energy: -58.064
flat angles P-C4'-P energy: -35.003
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -784.970727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.970727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.970727 (E_RNA)
where:
Base-Base interactions energy: -535.192
where: short stacking energy: -230.940
Base-Backbone interact. energy: -0.851
local terms energy: -248.927578
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -49.115
flat angles P-C4'-P energy: -38.086
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: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -761.789013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.789013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.789013 (E_RNA)
where:
Base-Base interactions energy: -520.533
where: short stacking energy: -244.670
Base-Backbone interact. energy: -0.556
local terms energy: -240.699446
where:
bonds (distance) C4'-P energy: -50.153
bonds (distance) P-C4' energy: -49.832
flat angles C4'-P-C4' energy: -52.357
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -50.629
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: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -527.483159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.483159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.483159 (E_RNA)
where:
Base-Base interactions energy: -318.339
where: short stacking energy: -150.501
Base-Backbone interact. energy: -1.089
local terms energy: -208.055141
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -44.648
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -35.197
tors. eta vs tors. theta energy: -31.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -519.273569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.273569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.273569 (E_RNA)
where:
Base-Base interactions energy: -312.899
where: short stacking energy: -131.524
Base-Backbone interact. energy: -0.850
local terms energy: -205.524768
where:
bonds (distance) C4'-P energy: -44.381
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -42.282
tors. eta vs tors. theta energy: -21.651
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: 375
Temperature: 1.350000
Total energy: -241.654439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.654439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.654439 (E_RNA)
where:
Base-Base interactions energy: -93.884
where: short stacking energy: -82.743
Base-Backbone interact. energy: 1.020
local terms energy: -148.790829
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -959.080371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.080371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.080371 (E_RNA)
where:
Base-Base interactions energy: -655.554
where: short stacking energy: -284.657
Base-Backbone interact. energy: -1.394
local terms energy: -302.133176
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -54.955
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -91.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -911.736767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.736767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.736767 (E_RNA)
where:
Base-Base interactions energy: -625.470
where: short stacking energy: -278.571
Base-Backbone interact. energy: -1.406
local terms energy: -284.860904
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -56.768
flat angles C4'-P-C4' energy: -59.737
flat angles P-C4'-P energy: -44.782
tors. eta vs tors. theta energy: -79.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -916.532413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.532413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.532413 (E_RNA)
where:
Base-Base interactions energy: -649.515
where: short stacking energy: -258.621
Base-Backbone interact. energy: -1.222
local terms energy: -265.795331
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -45.843
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -77.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -853.820699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.820699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.820699 (E_RNA)
where:
Base-Base interactions energy: -579.560
where: short stacking energy: -265.411
Base-Backbone interact. energy: -0.211
local terms energy: -274.049407
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -50.332
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -81.189
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: 376
Temperature: 1.100000
Total energy: -830.401481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.401481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.401481 (E_RNA)
where:
Base-Base interactions energy: -567.149
where: short stacking energy: -254.370
Base-Backbone interact. energy: -0.158
local terms energy: -263.094014
where:
bonds (distance) C4'-P energy: -47.963
bonds (distance) P-C4' energy: -46.822
flat angles C4'-P-C4' energy: -53.658
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -72.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -807.987959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.987959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.987959 (E_RNA)
where:
Base-Base interactions energy: -568.418
where: short stacking energy: -240.418
Base-Backbone interact. energy: -0.670
local terms energy: -238.899925
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -39.879
flat angles C4'-P-C4' energy: -54.797
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -71.394
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -745.969481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.969481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.969481 (E_RNA)
where:
Base-Base interactions energy: -502.318
where: short stacking energy: -233.325
Base-Backbone interact. energy: -0.777
local terms energy: -242.873490
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -43.147
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -64.579
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: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -526.074159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.074159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.074159 (E_RNA)
where:
Base-Base interactions energy: -320.865
where: short stacking energy: -166.628
Base-Backbone interact. energy: -0.431
local terms energy: -204.777506
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -41.698
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -33.197
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: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -504.860566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.860566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.860566 (E_RNA)
where:
Base-Base interactions energy: -321.213
where: short stacking energy: -149.860
Base-Backbone interact. energy: -2.181
local terms energy: -181.466513
where:
bonds (distance) C4'-P energy: -44.541
bonds (distance) P-C4' energy: -43.739
flat angles C4'-P-C4' energy: -42.317
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -21.568
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: -235.507584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.507584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507584 (E_RNA)
where:
Base-Base interactions energy: -65.524
where: short stacking energy: -67.624
Base-Backbone interact. energy: 1.296
local terms energy: -171.278942
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -47.337
flat angles C4'-P-C4' energy: -44.956
flat angles P-C4'-P energy: -31.249
tors. eta vs tors. theta energy: 4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -978.779487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.779487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.779487 (E_RNA)
where:
Base-Base interactions energy: -668.682
where: short stacking energy: -284.185
Base-Backbone interact. energy: -1.826
local terms energy: -308.271926
where:
bonds (distance) C4'-P energy: -55.266
bonds (distance) P-C4' energy: -57.859
flat angles C4'-P-C4' energy: -61.485
flat angles P-C4'-P energy: -45.932
tors. eta vs tors. theta energy: -87.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -944.185874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.185874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.185874 (E_RNA)
where:
Base-Base interactions energy: -655.425
where: short stacking energy: -281.789
Base-Backbone interact. energy: -0.735
local terms energy: -288.025664
where:
bonds (distance) C4'-P energy: -56.144
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -57.085
flat angles P-C4'-P energy: -36.439
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: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -910.805040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.805040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.805040 (E_RNA)
where:
Base-Base interactions energy: -624.376
where: short stacking energy: -276.096
Base-Backbone interact. energy: -0.721
local terms energy: -285.708687
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -62.125
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -86.761
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: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -849.540579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.540579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.540579 (E_RNA)
where:
Base-Base interactions energy: -569.651
where: short stacking energy: -251.049
Base-Backbone interact. energy: -2.039
local terms energy: -277.850228
where:
bonds (distance) C4'-P energy: -50.704
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -58.728
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -74.499
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: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -801.133593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.133593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.133593 (E_RNA)
where:
Base-Base interactions energy: -547.449
where: short stacking energy: -229.574
Base-Backbone interact. energy: -0.496
local terms energy: -253.188984
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -59.864
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -62.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -753.809852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.809852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.809852 (E_RNA)
where:
Base-Base interactions energy: -497.255
where: short stacking energy: -205.426
Base-Backbone interact. energy: 0.074
local terms energy: -256.628678
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -63.631
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: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -764.853429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.853429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.853429 (E_RNA)
where:
Base-Base interactions energy: -529.271
where: short stacking energy: -225.980
Base-Backbone interact. energy: 2.223
local terms energy: -237.805313
where:
bonds (distance) C4'-P energy: -47.789
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -66.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -514.754236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.754236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.754236 (E_RNA)
where:
Base-Base interactions energy: -317.060
where: short stacking energy: -152.969
Base-Backbone interact. energy: -0.272
local terms energy: -197.422613
where:
bonds (distance) C4'-P energy: -33.136
bonds (distance) P-C4' energy: -50.747
flat angles C4'-P-C4' energy: -52.774
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -29.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -516.886331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.886331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.886331 (E_RNA)
where:
Base-Base interactions energy: -328.106
where: short stacking energy: -150.048
Base-Backbone interact. energy: -0.141
local terms energy: -188.639841
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -45.393
flat angles P-C4'-P energy: -25.142
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: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -226.302021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.302021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.302021 (E_RNA)
where:
Base-Base interactions energy: -85.443
where: short stacking energy: -69.110
Base-Backbone interact. energy: -1.995
local terms energy: -138.864316
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: 8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -960.421910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.421910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.421910 (E_RNA)
where:
Base-Base interactions energy: -672.403
where: short stacking energy: -278.166
Base-Backbone interact. energy: -1.633
local terms energy: -286.385702
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -46.350
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -41.588
tors. eta vs tors. theta energy: -86.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -952.267581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.267581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.267581 (E_RNA)
where:
Base-Base interactions energy: -649.552
where: short stacking energy: -282.185
Base-Backbone interact. energy: -2.200
local terms energy: -300.515146
where:
bonds (distance) C4'-P energy: -54.354
bonds (distance) P-C4' energy: -55.152
flat angles C4'-P-C4' energy: -62.306
flat angles P-C4'-P energy: -39.209
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: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -906.647226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.647226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.647226 (E_RNA)
where:
Base-Base interactions energy: -615.132
where: short stacking energy: -269.731
Base-Backbone interact. energy: -0.591
local terms energy: -290.924151
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -55.294
flat angles C4'-P-C4' energy: -56.361
flat angles P-C4'-P energy: -45.890
tors. eta vs tors. theta energy: -75.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -858.532943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.532943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.532943 (E_RNA)
where:
Base-Base interactions energy: -585.188
where: short stacking energy: -255.755
Base-Backbone interact. energy: -0.451
local terms energy: -272.894257
where:
bonds (distance) C4'-P energy: -41.746
bonds (distance) P-C4' energy: -54.820
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -76.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -764.717881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.717881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.717881 (E_RNA)
where:
Base-Base interactions energy: -529.756
where: short stacking energy: -229.495
Base-Backbone interact. energy: -1.396
local terms energy: -233.565897
where:
bonds (distance) C4'-P energy: -42.330
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -52.009
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: -53.333
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: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -773.306885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.306885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.306885 (E_RNA)
where:
Base-Base interactions energy: -528.539
where: short stacking energy: -228.602
Base-Backbone interact. energy: -0.457
local terms energy: -244.311316
where:
bonds (distance) C4'-P energy: -48.241
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -67.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -715.485630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.485630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.485630 (E_RNA)
where:
Base-Base interactions energy: -487.027
where: short stacking energy: -200.269
Base-Backbone interact. energy: -0.493
local terms energy: -227.965546
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -52.267
flat angles C4'-P-C4' energy: -53.246
flat angles P-C4'-P energy: -36.906
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -552.036577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.036577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.036577 (E_RNA)
where:
Base-Base interactions energy: -366.919
where: short stacking energy: -179.829
Base-Backbone interact. energy: -1.688
local terms energy: -183.429055
where:
bonds (distance) C4'-P energy: -38.665
bonds (distance) P-C4' energy: -40.805
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -31.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -557.447434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.447434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.447434 (E_RNA)
where:
Base-Base interactions energy: -357.921
where: short stacking energy: -148.049
Base-Backbone interact. energy: -2.135
local terms energy: -197.392305
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -42.099
flat angles C4'-P-C4' energy: -51.756
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -276.071573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.071573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.071573 (E_RNA)
where:
Base-Base interactions energy: -144.832
where: short stacking energy: -93.251
Base-Backbone interact. energy: -1.546
local terms energy: -129.694331
where:
bonds (distance) C4'-P energy: -42.738
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -45.771
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: 10.074
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -960.748260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.748260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.748260 (E_RNA)
where:
Base-Base interactions energy: -666.205
where: short stacking energy: -288.723
Base-Backbone interact. energy: -1.491
local terms energy: -293.052618
where:
bonds (distance) C4'-P energy: -51.674
bonds (distance) P-C4' energy: -45.935
flat angles C4'-P-C4' energy: -61.661
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -88.264
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -951.435770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.435770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.435770 (E_RNA)
where:
Base-Base interactions energy: -664.887
where: short stacking energy: -291.872
Base-Backbone interact. energy: -1.369
local terms energy: -285.179620
where:
bonds (distance) C4'-P energy: -43.444
bonds (distance) P-C4' energy: -49.058
flat angles C4'-P-C4' energy: -56.556
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -93.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -906.887944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.887944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.887944 (E_RNA)
where:
Base-Base interactions energy: -614.049
where: short stacking energy: -271.082
Base-Backbone interact. energy: -1.185
local terms energy: -291.654270
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -51.712
flat angles C4'-P-C4' energy: -60.300
flat angles P-C4'-P energy: -46.398
tors. eta vs tors. theta energy: -81.889
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: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -853.894786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.894786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.894786 (E_RNA)
where:
Base-Base interactions energy: -584.134
where: short stacking energy: -251.412
Base-Backbone interact. energy: -0.449
local terms energy: -269.312618
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -38.834
flat angles C4'-P-C4' energy: -63.715
flat angles P-C4'-P energy: -40.310
tors. eta vs tors. theta energy: -75.415
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: 379
Temperature: 1.100000
Total energy: -788.540832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.540832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.540832 (E_RNA)
where:
Base-Base interactions energy: -531.004
where: short stacking energy: -237.429
Base-Backbone interact. energy: -0.312
local terms energy: -257.224842
where:
bonds (distance) C4'-P energy: -43.122
bonds (distance) P-C4' energy: -50.537
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -70.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -761.752649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.752649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.752649 (E_RNA)
where:
Base-Base interactions energy: -522.582
where: short stacking energy: -221.550
Base-Backbone interact. energy: -0.308
local terms energy: -238.862496
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -48.876
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -30.829
tors. eta vs tors. theta energy: -66.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -715.264906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.264906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.264906 (E_RNA)
where:
Base-Base interactions energy: -475.620
where: short stacking energy: -211.494
Base-Backbone interact. energy: -0.086
local terms energy: -239.559337
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -51.018
flat angles P-C4'-P energy: -37.205
tors. eta vs tors. theta energy: -60.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -623.480429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.480429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.480429 (E_RNA)
where:
Base-Base interactions energy: -424.697
where: short stacking energy: -183.518
Base-Backbone interact. energy: -0.834
local terms energy: -197.949174
where:
bonds (distance) C4'-P energy: -38.761
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -42.478
flat angles P-C4'-P energy: -30.429
tors. eta vs tors. theta energy: -36.268
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: 5
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -514.890887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.890887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.890887 (E_RNA)
where:
Base-Base interactions energy: -327.151
where: short stacking energy: -129.040
Base-Backbone interact. energy: -1.485
local terms energy: -186.254920
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -49.967
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -31.712
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -216.738370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.738370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.738370 (E_RNA)
where:
Base-Base interactions energy: -66.376
where: short stacking energy: -52.989
Base-Backbone interact. energy: 0.056
local terms energy: -150.418804
where:
bonds (distance) C4'-P energy: -43.915
bonds (distance) P-C4' energy: -51.729
flat angles C4'-P-C4' energy: -37.687
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: 6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -975.123613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.123613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.123613 (E_RNA)
where:
Base-Base interactions energy: -671.157
where: short stacking energy: -297.788
Base-Backbone interact. energy: -1.384
local terms energy: -302.582380
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -62.856
flat angles P-C4'-P energy: -34.523
tors. eta vs tors. theta energy: -96.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -951.481228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.481228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.481228 (E_RNA)
where:
Base-Base interactions energy: -673.708
where: short stacking energy: -283.555
Base-Backbone interact. energy: 0.507
local terms energy: -278.280308
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -47.259
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -38.329
tors. eta vs tors. theta energy: -85.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -869.145203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.145203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.145203 (E_RNA)
where:
Base-Base interactions energy: -589.890
where: short stacking energy: -255.925
Base-Backbone interact. energy: -1.039
local terms energy: -278.216288
where:
bonds (distance) C4'-P energy: -48.096
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -57.859
flat angles P-C4'-P energy: -41.057
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -870.884335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.884335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.884335 (E_RNA)
where:
Base-Base interactions energy: -600.214
where: short stacking energy: -262.836
Base-Backbone interact. energy: 0.058
local terms energy: -270.727904
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -37.038
tors. eta vs tors. theta energy: -74.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -779.646093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.646093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.646093 (E_RNA)
where:
Base-Base interactions energy: -521.670
where: short stacking energy: -230.255
Base-Backbone interact. energy: -3.279
local terms energy: -254.697475
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -51.040
flat angles C4'-P-C4' energy: -57.918
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -65.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -787.980125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.980125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.980125 (E_RNA)
where:
Base-Base interactions energy: -525.276
where: short stacking energy: -229.189
Base-Backbone interact. energy: -1.457
local terms energy: -261.246785
where:
bonds (distance) C4'-P energy: -53.821
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -51.875
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -58.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -736.388298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.388298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.388298 (E_RNA)
where:
Base-Base interactions energy: -506.598
where: short stacking energy: -221.506
Base-Backbone interact. energy: -0.501
local terms energy: -229.289183
where:
bonds (distance) C4'-P energy: -43.392
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -33.074
tors. eta vs tors. theta energy: -60.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -682.359286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.359286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.359286 (E_RNA)
where:
Base-Base interactions energy: -451.700
where: short stacking energy: -188.584
Base-Backbone interact. energy: -0.577
local terms energy: -230.081839
where:
bonds (distance) C4'-P energy: -48.516
bonds (distance) P-C4' energy: -40.806
flat angles C4'-P-C4' energy: -50.552
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -58.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -545.959202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.959202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.959202 (E_RNA)
where:
Base-Base interactions energy: -344.529
where: short stacking energy: -141.801
Base-Backbone interact. energy: 0.839
local terms energy: -202.268993
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -56.214
flat angles C4'-P-C4' energy: -47.251
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -28.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -218.065763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.065763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.065763 (E_RNA)
where:
Base-Base interactions energy: -65.485
where: short stacking energy: -47.746
Base-Backbone interact. energy: 2.199
local terms energy: -154.780454
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: 14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -970.442347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.442347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.442347 (E_RNA)
where:
Base-Base interactions energy: -661.104
where: short stacking energy: -278.939
Base-Backbone interact. energy: 0.050
local terms energy: -309.388188
where:
bonds (distance) C4'-P energy: -58.665
bonds (distance) P-C4' energy: -57.112
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -48.699
tors. eta vs tors. theta energy: -88.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -952.288865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.288865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.288865 (E_RNA)
where:
Base-Base interactions energy: -652.626
where: short stacking energy: -274.285
Base-Backbone interact. energy: -1.216
local terms energy: -298.446894
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -54.280
flat angles C4'-P-C4' energy: -64.161
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: -86.190
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: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -857.950821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.950821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.950821 (E_RNA)
where:
Base-Base interactions energy: -581.754
where: short stacking energy: -248.426
Base-Backbone interact. energy: -0.828
local terms energy: -275.369608
where:
bonds (distance) C4'-P energy: -47.352
bonds (distance) P-C4' energy: -59.825
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -68.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -883.761093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.761093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.761093 (E_RNA)
where:
Base-Base interactions energy: -607.877
where: short stacking energy: -254.070
Base-Backbone interact. energy: 0.219
local terms energy: -276.103358
where:
bonds (distance) C4'-P energy: -48.435
bonds (distance) P-C4' energy: -53.453
flat angles C4'-P-C4' energy: -59.920
flat angles P-C4'-P energy: -40.894
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: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -807.072912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.072912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.072912 (E_RNA)
where:
Base-Base interactions energy: -537.885
where: short stacking energy: -231.437
Base-Backbone interact. energy: -0.420
local terms energy: -268.767405
where:
bonds (distance) C4'-P energy: -52.167
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -40.509
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: 381
Temperature: 1.150000
Total energy: -700.386542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.386542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.386542 (E_RNA)
where:
Base-Base interactions energy: -485.604
where: short stacking energy: -204.243
Base-Backbone interact. energy: 4.378
local terms energy: -219.160948
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -54.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -725.382491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.382491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.382491 (E_RNA)
where:
Base-Base interactions energy: -490.421
where: short stacking energy: -207.236
Base-Backbone interact. energy: -0.313
local terms energy: -234.647995
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -53.279
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -29.821
tors. eta vs tors. theta energy: -54.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -609.811038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.811038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.811038 (E_RNA)
where:
Base-Base interactions energy: -392.151
where: short stacking energy: -173.635
Base-Backbone interact. energy: -1.861
local terms energy: -215.798936
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -43.822
flat angles C4'-P-C4' energy: -51.992
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -31.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -547.821076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.821076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.821076 (E_RNA)
where:
Base-Base interactions energy: -352.409
where: short stacking energy: -161.183
Base-Backbone interact. energy: -1.058
local terms energy: -194.353866
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -42.855
flat angles C4'-P-C4' energy: -47.018
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -32.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -215.482775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.482775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.482775 (E_RNA)
where:
Base-Base interactions energy: -80.650
where: short stacking energy: -65.618
Base-Backbone interact. energy: -1.699
local terms energy: -133.133230
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -40.711
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: 7.104
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: 382
Temperature: 0.900000
Total energy: -952.485810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.485810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.485810 (E_RNA)
where:
Base-Base interactions energy: -663.947
where: short stacking energy: -270.143
Base-Backbone interact. energy: -1.397
local terms energy: -287.141928
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -46.267
flat angles C4'-P-C4' energy: -59.779
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -87.601
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: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -946.639792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.639792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.639792 (E_RNA)
where:
Base-Base interactions energy: -651.220
where: short stacking energy: -266.396
Base-Backbone interact. energy: -0.806
local terms energy: -294.614095
where:
bonds (distance) C4'-P energy: -48.755
bonds (distance) P-C4' energy: -58.173
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: -84.335
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: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -893.294497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.294497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.294497 (E_RNA)
where:
Base-Base interactions energy: -622.901
where: short stacking energy: -262.178
Base-Backbone interact. energy: -1.842
local terms energy: -268.551299
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -72.790
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -849.094418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.094418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.094418 (E_RNA)
where:
Base-Base interactions energy: -564.071
where: short stacking energy: -241.309
Base-Backbone interact. energy: -1.909
local terms energy: -283.114303
where:
bonds (distance) C4'-P energy: -54.170
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -36.109
tors. eta vs tors. theta energy: -73.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -764.412238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.412238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.412238 (E_RNA)
where:
Base-Base interactions energy: -523.954
where: short stacking energy: -207.191
Base-Backbone interact. energy: 0.588
local terms energy: -241.046168
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -45.649
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -57.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -771.458898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.458898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.458898 (E_RNA)
where:
Base-Base interactions energy: -516.505
where: short stacking energy: -224.050
Base-Backbone interact. energy: -0.145
local terms energy: -254.809310
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -48.094
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -66.811
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: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -739.089535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.089535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.089535 (E_RNA)
where:
Base-Base interactions energy: -500.092
where: short stacking energy: -200.022
Base-Backbone interact. energy: 0.111
local terms energy: -239.107954
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: -48.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -647.724644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.724644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.724644 (E_RNA)
where:
Base-Base interactions energy: -433.871
where: short stacking energy: -185.820
Base-Backbone interact. energy: -1.471
local terms energy: -212.382140
where:
bonds (distance) C4'-P energy: -36.432
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -44.396
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: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -548.632284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.632284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.632284 (E_RNA)
where:
Base-Base interactions energy: -340.210
where: short stacking energy: -162.850
Base-Backbone interact. energy: -0.118
local terms energy: -208.304086
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -51.298
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -11.083
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: 382
Temperature: 1.350000
Total energy: -222.268173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.268173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.268173 (E_RNA)
where:
Base-Base interactions energy: -79.810
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.185
local terms energy: -142.273101
where:
bonds (distance) C4'-P energy: -30.775
bonds (distance) P-C4' energy: -36.072
flat angles C4'-P-C4' energy: -45.922
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: 1.189
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: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -962.962345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.962345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.962345 (E_RNA)
where:
Base-Base interactions energy: -669.587
where: short stacking energy: -281.704
Base-Backbone interact. energy: -0.483
local terms energy: -292.892035
where:
bonds (distance) C4'-P energy: -46.522
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -57.928
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -85.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -931.212533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.212533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.212533 (E_RNA)
where:
Base-Base interactions energy: -630.914
where: short stacking energy: -275.799
Base-Backbone interact. energy: 0.922
local terms energy: -301.219750
where:
bonds (distance) C4'-P energy: -58.894
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -64.351
flat angles P-C4'-P energy: -32.706
tors. eta vs tors. theta energy: -89.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -886.626230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.626230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.626230 (E_RNA)
where:
Base-Base interactions energy: -603.879
where: short stacking energy: -256.478
Base-Backbone interact. energy: -1.055
local terms energy: -281.691806
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -52.956
flat angles C4'-P-C4' energy: -58.531
flat angles P-C4'-P energy: -46.009
tors. eta vs tors. theta energy: -74.123
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: 4, replica: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -841.708659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.708659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.708659 (E_RNA)
where:
Base-Base interactions energy: -582.990
where: short stacking energy: -251.158
Base-Backbone interact. energy: -0.454
local terms energy: -258.264443
where:
bonds (distance) C4'-P energy: -56.087
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -48.977
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -71.029
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: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -782.429108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.429108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.429108 (E_RNA)
where:
Base-Base interactions energy: -532.074
where: short stacking energy: -212.024
Base-Backbone interact. energy: -0.398
local terms energy: -249.957062
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -46.109
flat angles C4'-P-C4' energy: -56.614
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -59.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -758.508064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.508064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.508064 (E_RNA)
where:
Base-Base interactions energy: -513.739
where: short stacking energy: -207.741
Base-Backbone interact. energy: -1.052
local terms energy: -243.717916
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -46.063
flat angles C4'-P-C4' energy: -58.773
flat angles P-C4'-P energy: -37.166
tors. eta vs tors. theta energy: -56.530
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: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -757.418562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.418562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.418562 (E_RNA)
where:
Base-Base interactions energy: -506.955
where: short stacking energy: -232.786
Base-Backbone interact. energy: -0.735
local terms energy: -249.729288
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: -66.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -585.927661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.927661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.927661 (E_RNA)
where:
Base-Base interactions energy: -379.340
where: short stacking energy: -172.289
Base-Backbone interact. energy: -1.396
local terms energy: -205.192381
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -19.223
tors. eta vs tors. theta energy: -42.730
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: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -619.699934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.699934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.699934 (E_RNA)
where:
Base-Base interactions energy: -427.533
where: short stacking energy: -180.494
Base-Backbone interact. energy: -1.066
local terms energy: -191.100581
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -46.392
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -44.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -217.028165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.028165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.028165 (E_RNA)
where:
Base-Base interactions energy: -68.301
where: short stacking energy: -51.961
Base-Backbone interact. energy: -1.183
local terms energy: -147.544213
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -46.230
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: 13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -955.652206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.652206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.652206 (E_RNA)
where:
Base-Base interactions energy: -670.331
where: short stacking energy: -281.833
Base-Backbone interact. energy: -0.687
local terms energy: -284.633868
where:
bonds (distance) C4'-P energy: -50.775
bonds (distance) P-C4' energy: -51.576
flat angles C4'-P-C4' energy: -60.113
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -84.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -950.793914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.793914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.793914 (E_RNA)
where:
Base-Base interactions energy: -656.415
where: short stacking energy: -278.041
Base-Backbone interact. energy: -1.452
local terms energy: -292.927152
where:
bonds (distance) C4'-P energy: -51.678
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -86.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -871.785680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.785680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.785680 (E_RNA)
where:
Base-Base interactions energy: -588.894
where: short stacking energy: -260.682
Base-Backbone interact. energy: -0.231
local terms energy: -282.660315
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -65.801
flat angles P-C4'-P energy: -36.676
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: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -856.525641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.525641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.525641 (E_RNA)
where:
Base-Base interactions energy: -579.427
where: short stacking energy: -265.948
Base-Backbone interact. energy: -0.684
local terms energy: -276.414266
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: -74.301
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: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -781.365113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.365113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.365113 (E_RNA)
where:
Base-Base interactions energy: -539.803
where: short stacking energy: -230.537
Base-Backbone interact. energy: -0.440
local terms energy: -241.121532
where:
bonds (distance) C4'-P energy: -30.452
bonds (distance) P-C4' energy: -52.482
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -34.769
tors. eta vs tors. theta energy: -63.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -746.878818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.878818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.878818 (E_RNA)
where:
Base-Base interactions energy: -502.560
where: short stacking energy: -226.374
Base-Backbone interact. energy: -0.303
local terms energy: -244.015754
where:
bonds (distance) C4'-P energy: -50.051
bonds (distance) P-C4' energy: -44.812
flat angles C4'-P-C4' energy: -54.061
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: -66.059
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: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -742.750127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.750127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.750127 (E_RNA)
where:
Base-Base interactions energy: -501.973
where: short stacking energy: -216.058
Base-Backbone interact. energy: -0.254
local terms energy: -240.522744
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -55.617
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -57.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -593.600544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.600544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.600544 (E_RNA)
where:
Base-Base interactions energy: -391.311
where: short stacking energy: -184.368
Base-Backbone interact. energy: -0.780
local terms energy: -201.509370
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -36.040
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -40.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -582.029958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.029958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.029958 (E_RNA)
where:
Base-Base interactions energy: -394.542
where: short stacking energy: -163.574
Base-Backbone interact. energy: 3.234
local terms energy: -190.721919
where:
bonds (distance) C4'-P energy: -33.723
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -56.628
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -40.212
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: 384
Temperature: 1.350000
Total energy: -210.019862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019862 (E_RNA)
where:
Base-Base interactions energy: -73.504
where: short stacking energy: -70.005
Base-Backbone interact. energy: 4.156
local terms energy: -140.671880
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -42.362
flat angles C4'-P-C4' energy: -34.883
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -0.971
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: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -970.645765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.645765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.645765 (E_RNA)
where:
Base-Base interactions energy: -663.861
where: short stacking energy: -298.870
Base-Backbone interact. energy: -0.740
local terms energy: -306.044625
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -55.992
flat angles C4'-P-C4' energy: -62.511
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -89.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -954.723017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.723017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.723017 (E_RNA)
where:
Base-Base interactions energy: -652.425
where: short stacking energy: -282.007
Base-Backbone interact. energy: -0.880
local terms energy: -301.418400
where:
bonds (distance) C4'-P energy: -50.997
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -44.736
tors. eta vs tors. theta energy: -87.646
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: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -861.416908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.416908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.416908 (E_RNA)
where:
Base-Base interactions energy: -600.419
where: short stacking energy: -268.652
Base-Backbone interact. energy: -0.751
local terms energy: -260.247775
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -50.748
flat angles C4'-P-C4' energy: -47.787
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -70.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -825.450610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.450610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.450610 (E_RNA)
where:
Base-Base interactions energy: -567.091
where: short stacking energy: -248.151
Base-Backbone interact. energy: -0.983
local terms energy: -257.376631
where:
bonds (distance) C4'-P energy: -44.353
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -40.255
tors. eta vs tors. theta energy: -73.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -788.342332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.342332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.342332 (E_RNA)
where:
Base-Base interactions energy: -541.200
where: short stacking energy: -232.084
Base-Backbone interact. energy: 3.850
local terms energy: -250.993132
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -42.725
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -37.334
tors. eta vs tors. theta energy: -62.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -772.516156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.516156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.516156 (E_RNA)
where:
Base-Base interactions energy: -541.496
where: short stacking energy: -220.357
Base-Backbone interact. energy: -0.499
local terms energy: -230.521199
where:
bonds (distance) C4'-P energy: -38.053
bonds (distance) P-C4' energy: -48.257
flat angles C4'-P-C4' energy: -50.915
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: -62.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -703.731582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.731582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.731582 (E_RNA)
where:
Base-Base interactions energy: -480.631
where: short stacking energy: -205.457
Base-Backbone interact. energy: -1.421
local terms energy: -221.679920
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -58.412
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -56.189
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: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -605.116920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.116920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.116920 (E_RNA)
where:
Base-Base interactions energy: -390.160
where: short stacking energy: -170.609
Base-Backbone interact. energy: -0.509
local terms energy: -214.447817
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -44.814
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -39.262
tors. eta vs tors. theta energy: -51.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -588.240269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.240269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.240269 (E_RNA)
where:
Base-Base interactions energy: -365.664
where: short stacking energy: -170.509
Base-Backbone interact. energy: -0.506
local terms energy: -222.070434
where:
bonds (distance) C4'-P energy: -49.017
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -37.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -220.716837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.716837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.716837 (E_RNA)
where:
Base-Base interactions energy: -83.492
where: short stacking energy: -73.973
Base-Backbone interact. energy: 0.249
local terms energy: -137.473290
where:
bonds (distance) C4'-P energy: -40.999
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: 4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -961.449671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.449671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.449671 (E_RNA)
where:
Base-Base interactions energy: -667.800
where: short stacking energy: -273.115
Base-Backbone interact. energy: -0.903
local terms energy: -292.746381
where:
bonds (distance) C4'-P energy: -54.032
bonds (distance) P-C4' energy: -53.939
flat angles C4'-P-C4' energy: -57.989
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -87.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -948.058056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.058056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.058056 (E_RNA)
where:
Base-Base interactions energy: -649.799
where: short stacking energy: -268.836
Base-Backbone interact. energy: -1.736
local terms energy: -296.523209
where:
bonds (distance) C4'-P energy: -48.781
bonds (distance) P-C4' energy: -53.379
flat angles C4'-P-C4' energy: -60.650
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: -90.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -857.098938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.098938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.098938 (E_RNA)
where:
Base-Base interactions energy: -602.963
where: short stacking energy: -252.018
Base-Backbone interact. energy: -0.636
local terms energy: -253.499892
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -48.369
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -67.472
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: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -828.281917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.281917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.281917 (E_RNA)
where:
Base-Base interactions energy: -564.123
where: short stacking energy: -234.019
Base-Backbone interact. energy: 1.758
local terms energy: -265.917522
where:
bonds (distance) C4'-P energy: -54.625
bonds (distance) P-C4' energy: -48.537
flat angles C4'-P-C4' energy: -62.345
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: -68.400
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: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -806.705026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.705026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.705026 (E_RNA)
where:
Base-Base interactions energy: -541.266
where: short stacking energy: -239.275
Base-Backbone interact. energy: -0.140
local terms energy: -265.298394
where:
bonds (distance) C4'-P energy: -47.243
bonds (distance) P-C4' energy: -55.696
flat angles C4'-P-C4' energy: -57.712
flat angles P-C4'-P energy: -35.743
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: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -750.196291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.196291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.196291 (E_RNA)
where:
Base-Base interactions energy: -515.900
where: short stacking energy: -229.342
Base-Backbone interact. energy: -1.267
local terms energy: -233.029124
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -58.846
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: 386
Temperature: 1.200000
Total energy: -719.276855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.276855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.276855 (E_RNA)
where:
Base-Base interactions energy: -471.194
where: short stacking energy: -191.902
Base-Backbone interact. energy: -1.121
local terms energy: -246.961778
where:
bonds (distance) C4'-P energy: -52.742
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -53.135
flat angles P-C4'-P energy: -37.550
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: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -582.852004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.852004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.852004 (E_RNA)
where:
Base-Base interactions energy: -373.059
where: short stacking energy: -172.779
Base-Backbone interact. energy: -1.035
local terms energy: -208.758733
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -54.735
flat angles C4'-P-C4' energy: -45.622
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -40.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -573.755787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.755787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.755787 (E_RNA)
where:
Base-Base interactions energy: -370.903
where: short stacking energy: -159.823
Base-Backbone interact. energy: 1.829
local terms energy: -204.682246
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -51.120
flat angles C4'-P-C4' energy: -50.392
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -39.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -216.262890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.262890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.262890 (E_RNA)
where:
Base-Base interactions energy: -75.699
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.349
local terms energy: -140.214438
where:
bonds (distance) C4'-P energy: -42.417
bonds (distance) P-C4' energy: -36.627
flat angles C4'-P-C4' energy: -40.467
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: 2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -962.674856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.674856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.674856 (E_RNA)
where:
Base-Base interactions energy: -662.760
where: short stacking energy: -272.399
Base-Backbone interact. energy: -1.490
local terms energy: -298.425125
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -84.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -946.979623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.979623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.979623 (E_RNA)
where:
Base-Base interactions energy: -658.915
where: short stacking energy: -281.607
Base-Backbone interact. energy: -0.458
local terms energy: -287.606288
where:
bonds (distance) C4'-P energy: -49.817
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -88.154
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: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -842.263782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.263782 (E_RNA)
where:
Base-Base interactions energy: -573.285
where: short stacking energy: -243.693
Base-Backbone interact. energy: -0.800
local terms energy: -268.178080
where:
bonds (distance) C4'-P energy: -46.869
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -58.114
flat angles P-C4'-P energy: -41.236
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: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -830.802086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.802086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.802086 (E_RNA)
where:
Base-Base interactions energy: -565.706
where: short stacking energy: -248.850
Base-Backbone interact. energy: -0.796
local terms energy: -264.300049
where:
bonds (distance) C4'-P energy: -47.659
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -54.744
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: -66.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -835.824428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.824428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.824428 (E_RNA)
where:
Base-Base interactions energy: -576.040
where: short stacking energy: -251.523
Base-Backbone interact. energy: -0.378
local terms energy: -259.405703
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -56.364
flat angles P-C4'-P energy: -35.555
tors. eta vs tors. theta energy: -71.758
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: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -754.198146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.198146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.198146 (E_RNA)
where:
Base-Base interactions energy: -502.093
where: short stacking energy: -214.877
Base-Backbone interact. energy: -0.395
local terms energy: -251.709735
where:
bonds (distance) C4'-P energy: -47.000
bonds (distance) P-C4' energy: -49.087
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -37.240
tors. eta vs tors. theta energy: -54.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -728.479808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.479808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.479808 (E_RNA)
where:
Base-Base interactions energy: -494.251
where: short stacking energy: -218.557
Base-Backbone interact. energy: -0.291
local terms energy: -233.937743
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -49.796
flat angles C4'-P-C4' energy: -47.291
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -60.183
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: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -591.952640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.952640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.952640 (E_RNA)
where:
Base-Base interactions energy: -400.099
where: short stacking energy: -163.353
Base-Backbone interact. energy: -1.113
local terms energy: -190.741236
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -39.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -547.676235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.676235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.676235 (E_RNA)
where:
Base-Base interactions energy: -352.744
where: short stacking energy: -149.142
Base-Backbone interact. energy: 2.580
local terms energy: -197.512264
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -47.371
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -23.189
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: 387
Temperature: 1.350000
Total energy: -211.521783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.521783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.521783 (E_RNA)
where:
Base-Base interactions energy: -78.978
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.864
local terms energy: -131.680005
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: 10.878
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: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -964.997807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.997807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.997807 (E_RNA)
where:
Base-Base interactions energy: -673.295
where: short stacking energy: -272.778
Base-Backbone interact. energy: -1.557
local terms energy: -290.146107
where:
bonds (distance) C4'-P energy: -50.391
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -64.339
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -87.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -934.180348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.180348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.180348 (E_RNA)
where:
Base-Base interactions energy: -652.907
where: short stacking energy: -268.044
Base-Backbone interact. energy: -1.581
local terms energy: -279.692418
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -39.262
tors. eta vs tors. theta energy: -83.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -854.782717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.782717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.782717 (E_RNA)
where:
Base-Base interactions energy: -580.033
where: short stacking energy: -264.024
Base-Backbone interact. energy: -0.406
local terms energy: -274.343637
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -56.227
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -76.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -854.440279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.440279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.440279 (E_RNA)
where:
Base-Base interactions energy: -581.769
where: short stacking energy: -248.111
Base-Backbone interact. energy: 2.894
local terms energy: -275.565573
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -53.212
flat angles C4'-P-C4' energy: -61.056
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -67.722
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -810.616714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.616714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.616714 (E_RNA)
where:
Base-Base interactions energy: -564.946
where: short stacking energy: -238.537
Base-Backbone interact. energy: -0.821
local terms energy: -244.850050
where:
bonds (distance) C4'-P energy: -40.817
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -54.264
flat angles P-C4'-P energy: -47.552
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: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -763.744676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.744676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.744676 (E_RNA)
where:
Base-Base interactions energy: -519.702
where: short stacking energy: -218.690
Base-Backbone interact. energy: -0.231
local terms energy: -243.811149
where:
bonds (distance) C4'-P energy: -55.040
bonds (distance) P-C4' energy: -45.679
flat angles C4'-P-C4' energy: -44.156
flat angles P-C4'-P energy: -38.599
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: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -720.733077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.733077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.733077 (E_RNA)
where:
Base-Base interactions energy: -489.826
where: short stacking energy: -201.343
Base-Backbone interact. energy: 2.093
local terms energy: -233.000658
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -52.148
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -51.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -594.456869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.456869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.456869 (E_RNA)
where:
Base-Base interactions energy: -385.178
where: short stacking energy: -174.147
Base-Backbone interact. energy: -0.998
local terms energy: -208.280819
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -32.460
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: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -548.566148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.566148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.566148 (E_RNA)
where:
Base-Base interactions energy: -339.085
where: short stacking energy: -146.136
Base-Backbone interact. energy: -0.806
local terms energy: -208.675332
where:
bonds (distance) C4'-P energy: -52.175
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -49.037
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -225.200133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.200133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.200133 (E_RNA)
where:
Base-Base interactions energy: -73.839
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.453
local terms energy: -150.908623
where:
bonds (distance) C4'-P energy: -44.940
bonds (distance) P-C4' energy: -40.631
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -27.230
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: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -960.221040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.221040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.221040 (E_RNA)
where:
Base-Base interactions energy: -671.423
where: short stacking energy: -286.335
Base-Backbone interact. energy: -0.884
local terms energy: -287.914631
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -57.405
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -86.536
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: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -947.804293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.804293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.804293 (E_RNA)
where:
Base-Base interactions energy: -671.956
where: short stacking energy: -287.789
Base-Backbone interact. energy: -1.093
local terms energy: -274.755361
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -56.553
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: -82.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -844.479302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.479302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.479302 (E_RNA)
where:
Base-Base interactions energy: -586.347
where: short stacking energy: -257.437
Base-Backbone interact. energy: 0.392
local terms energy: -258.524528
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -73.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -818.182362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.182362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.182362 (E_RNA)
where:
Base-Base interactions energy: -549.796
where: short stacking energy: -241.076
Base-Backbone interact. energy: -0.598
local terms energy: -267.788131
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -52.180
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -66.205
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: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -846.849292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.849292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.849292 (E_RNA)
where:
Base-Base interactions energy: -575.989
where: short stacking energy: -256.084
Base-Backbone interact. energy: -0.655
local terms energy: -270.205480
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -56.357
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -44.023
tors. eta vs tors. theta energy: -75.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -749.748648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.748648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.748648 (E_RNA)
where:
Base-Base interactions energy: -524.948
where: short stacking energy: -224.847
Base-Backbone interact. energy: 2.691
local terms energy: -227.490757
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -43.212
flat angles C4'-P-C4' energy: -51.510
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -59.601
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: 389
Temperature: 1.200000
Total energy: -747.225418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.225418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.225418 (E_RNA)
where:
Base-Base interactions energy: -518.041
where: short stacking energy: -217.650
Base-Backbone interact. energy: -0.313
local terms energy: -228.871111
where:
bonds (distance) C4'-P energy: -42.841
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -54.298
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: -54.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -558.270982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.270982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.270982 (E_RNA)
where:
Base-Base interactions energy: -364.040
where: short stacking energy: -156.092
Base-Backbone interact. energy: 2.278
local terms energy: -196.508727
where:
bonds (distance) C4'-P energy: -49.199
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -33.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -620.440564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.440564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.440564 (E_RNA)
where:
Base-Base interactions energy: -410.160
where: short stacking energy: -179.167
Base-Backbone interact. energy: 1.568
local terms energy: -211.848952
where:
bonds (distance) C4'-P energy: -42.937
bonds (distance) P-C4' energy: -42.358
flat angles C4'-P-C4' energy: -43.546
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -46.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -244.748353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.748353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.748353 (E_RNA)
where:
Base-Base interactions energy: -89.875
where: short stacking energy: -89.103
Base-Backbone interact. energy: 0.023
local terms energy: -154.896987
where:
bonds (distance) C4'-P energy: -38.053
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -42.930
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -959.674702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.674702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.674702 (E_RNA)
where:
Base-Base interactions energy: -666.290
where: short stacking energy: -272.616
Base-Backbone interact. energy: -0.654
local terms energy: -292.731173
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -63.782
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -85.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -940.187696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.187696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.187696 (E_RNA)
where:
Base-Base interactions energy: -657.342
where: short stacking energy: -277.018
Base-Backbone interact. energy: -2.285
local terms energy: -280.561361
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -55.052
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -85.070
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: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -856.495005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.495005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.495005 (E_RNA)
where:
Base-Base interactions energy: -603.487
where: short stacking energy: -265.938
Base-Backbone interact. energy: 0.310
local terms energy: -253.318113
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -56.545
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -69.647
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: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -824.748614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.748614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.748614 (E_RNA)
where:
Base-Base interactions energy: -567.713
where: short stacking energy: -263.523
Base-Backbone interact. energy: -1.440
local terms energy: -255.596409
where:
bonds (distance) C4'-P energy: -38.048
bonds (distance) P-C4' energy: -55.174
flat angles C4'-P-C4' energy: -53.104
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -74.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -825.822749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.822749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.822749 (E_RNA)
where:
Base-Base interactions energy: -568.515
where: short stacking energy: -244.391
Base-Backbone interact. energy: -0.763
local terms energy: -256.544932
where:
bonds (distance) C4'-P energy: -44.687
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -56.869
flat angles P-C4'-P energy: -37.864
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: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -750.562706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.562706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.562706 (E_RNA)
where:
Base-Base interactions energy: -496.720
where: short stacking energy: -209.445
Base-Backbone interact. energy: 0.293
local terms energy: -254.135387
where:
bonds (distance) C4'-P energy: -58.720
bonds (distance) P-C4' energy: -35.811
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -40.475
tors. eta vs tors. theta energy: -59.096
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -728.864141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.864141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.864141 (E_RNA)
where:
Base-Base interactions energy: -483.854
where: short stacking energy: -209.680
Base-Backbone interact. energy: 2.826
local terms energy: -247.836375
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -53.229
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -63.722
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: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -560.911354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.911354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.911354 (E_RNA)
where:
Base-Base interactions energy: -350.559
where: short stacking energy: -147.747
Base-Backbone interact. energy: -0.498
local terms energy: -209.853998
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -51.737
flat angles P-C4'-P energy: -29.458
tors. eta vs tors. theta energy: -39.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -628.013287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.013287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.013287 (E_RNA)
where:
Base-Base interactions energy: -430.559
where: short stacking energy: -180.636
Base-Backbone interact. energy: 2.597
local terms energy: -200.051596
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -42.336
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -46.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -239.462205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.462205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.462205 (E_RNA)
where:
Base-Base interactions energy: -84.523
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.873
local terms energy: -154.065704
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: 5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -943.904255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.904255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.904255 (E_RNA)
where:
Base-Base interactions energy: -643.173
where: short stacking energy: -279.846
Base-Backbone interact. energy: -1.106
local terms energy: -299.625431
where:
bonds (distance) C4'-P energy: -55.688
bonds (distance) P-C4' energy: -49.121
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: -88.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -928.083556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.083556 (E_RNA)
where:
Base-Base interactions energy: -651.709
where: short stacking energy: -273.795
Base-Backbone interact. energy: 0.725
local terms energy: -277.099440
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -50.460
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -81.328
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -846.855317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.855317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.855317 (E_RNA)
where:
Base-Base interactions energy: -582.047
where: short stacking energy: -244.204
Base-Backbone interact. energy: 2.570
local terms energy: -267.377850
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -30.294
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: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -832.151933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.151933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.151933 (E_RNA)
where:
Base-Base interactions energy: -561.685
where: short stacking energy: -251.887
Base-Backbone interact. energy: 2.102
local terms energy: -272.568956
where:
bonds (distance) C4'-P energy: -41.358
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -64.209
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -72.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -807.114428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.114428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.114428 (E_RNA)
where:
Base-Base interactions energy: -549.150
where: short stacking energy: -240.975
Base-Backbone interact. energy: -0.717
local terms energy: -257.247492
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -46.843
flat angles C4'-P-C4' energy: -56.738
flat angles P-C4'-P energy: -36.529
tors. eta vs tors. theta energy: -65.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -740.019279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.019279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.019279 (E_RNA)
where:
Base-Base interactions energy: -499.895
where: short stacking energy: -225.116
Base-Backbone interact. energy: -0.730
local terms energy: -239.395125
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -45.070
flat angles C4'-P-C4' energy: -54.340
flat angles P-C4'-P energy: -36.462
tors. eta vs tors. theta energy: -59.942
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -740.581931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.581931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.581931 (E_RNA)
where:
Base-Base interactions energy: -492.299
where: short stacking energy: -211.456
Base-Backbone interact. energy: -0.480
local terms energy: -247.803237
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -31.373
tors. eta vs tors. theta energy: -64.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -670.153636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.153636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.153636 (E_RNA)
where:
Base-Base interactions energy: -443.184
where: short stacking energy: -183.289
Base-Backbone interact. energy: 4.145
local terms energy: -231.114780
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -50.453
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -52.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -527.900961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.900961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.900961 (E_RNA)
where:
Base-Base interactions energy: -346.063
where: short stacking energy: -141.076
Base-Backbone interact. energy: -1.690
local terms energy: -180.147567
where:
bonds (distance) C4'-P energy: -45.164
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -43.428
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -27.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -232.535687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.535687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.535687 (E_RNA)
where:
Base-Base interactions energy: -76.917
where: short stacking energy: -74.704
Base-Backbone interact. energy: 3.615
local terms energy: -159.233035
where:
bonds (distance) C4'-P energy: -42.344
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -41.970
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: 0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -954.795742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.795742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.795742 (E_RNA)
where:
Base-Base interactions energy: -653.657
where: short stacking energy: -282.648
Base-Backbone interact. energy: -0.664
local terms energy: -300.474874
where:
bonds (distance) C4'-P energy: -51.468
bonds (distance) P-C4' energy: -55.522
flat angles C4'-P-C4' energy: -61.385
flat angles P-C4'-P energy: -42.640
tors. eta vs tors. theta energy: -89.459
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: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -929.612989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.612989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.612989 (E_RNA)
where:
Base-Base interactions energy: -648.126
where: short stacking energy: -276.445
Base-Backbone interact. energy: -1.243
local terms energy: -280.243901
where:
bonds (distance) C4'-P energy: -48.891
bonds (distance) P-C4' energy: -46.267
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -41.067
tors. eta vs tors. theta energy: -85.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -871.473993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.473993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.473993 (E_RNA)
where:
Base-Base interactions energy: -594.089
where: short stacking energy: -278.077
Base-Backbone interact. energy: -0.286
local terms energy: -277.098943
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -78.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -838.485467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.485467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.485467 (E_RNA)
where:
Base-Base interactions energy: -583.300
where: short stacking energy: -232.660
Base-Backbone interact. energy: -1.629
local terms energy: -253.556359
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -54.529
flat angles C4'-P-C4' energy: -55.494
flat angles P-C4'-P energy: -30.671
tors. eta vs tors. theta energy: -58.285
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: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -801.114444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.114444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.114444 (E_RNA)
where:
Base-Base interactions energy: -552.132
where: short stacking energy: -234.906
Base-Backbone interact. energy: -1.879
local terms energy: -247.102638
where:
bonds (distance) C4'-P energy: -40.673
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -60.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -764.838435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.838435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.838435 (E_RNA)
where:
Base-Base interactions energy: -522.326
where: short stacking energy: -223.394
Base-Backbone interact. energy: -0.390
local terms energy: -242.122978
where:
bonds (distance) C4'-P energy: -30.435
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -40.033
tors. eta vs tors. theta energy: -60.805
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: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -704.817825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.817825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.817825 (E_RNA)
where:
Base-Base interactions energy: -473.585
where: short stacking energy: -182.905
Base-Backbone interact. energy: -1.102
local terms energy: -230.130098
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -48.309
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -55.245
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: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -653.599583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.599583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.599583 (E_RNA)
where:
Base-Base interactions energy: -435.185
where: short stacking energy: -189.315
Base-Backbone interact. energy: 2.798
local terms energy: -221.212128
where:
bonds (distance) C4'-P energy: -39.508
bonds (distance) P-C4' energy: -45.339
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -39.341
tors. eta vs tors. theta energy: -46.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -552.701723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.701723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.701723 (E_RNA)
where:
Base-Base interactions energy: -362.323
where: short stacking energy: -158.198
Base-Backbone interact. energy: 2.025
local terms energy: -192.403806
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -54.967
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -31.398
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: 392
Temperature: 1.350000
Total energy: -224.262477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.262477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.262477 (E_RNA)
where:
Base-Base interactions energy: -57.475
where: short stacking energy: -48.385
Base-Backbone interact. energy: -1.493
local terms energy: -165.295005
where:
bonds (distance) C4'-P energy: -56.558
bonds (distance) P-C4' energy: -51.785
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: 7.331
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: 393
Temperature: 0.900000
Total energy: -970.585812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.585812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.585812 (E_RNA)
where:
Base-Base interactions energy: -671.272
where: short stacking energy: -277.700
Base-Backbone interact. energy: -1.536
local terms energy: -297.777454
where:
bonds (distance) C4'-P energy: -51.626
bonds (distance) P-C4' energy: -55.054
flat angles C4'-P-C4' energy: -61.689
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -89.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -935.616939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.616939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.616939 (E_RNA)
where:
Base-Base interactions energy: -644.337
where: short stacking energy: -279.278
Base-Backbone interact. energy: -0.512
local terms energy: -290.767941
where:
bonds (distance) C4'-P energy: -58.739
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: -87.072
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: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -853.118858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.118858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.118858 (E_RNA)
where:
Base-Base interactions energy: -575.706
where: short stacking energy: -251.911
Base-Backbone interact. energy: -1.374
local terms energy: -276.039460
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -65.335
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -75.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -858.172597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.172597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.172597 (E_RNA)
where:
Base-Base interactions energy: -591.514
where: short stacking energy: -245.353
Base-Backbone interact. energy: -0.045
local terms energy: -266.614138
where:
bonds (distance) C4'-P energy: -49.993
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -58.425
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -77.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -806.366077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.366077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.366077 (E_RNA)
where:
Base-Base interactions energy: -539.907
where: short stacking energy: -235.552
Base-Backbone interact. energy: -2.371
local terms energy: -264.088135
where:
bonds (distance) C4'-P energy: -46.337
bonds (distance) P-C4' energy: -54.336
flat angles C4'-P-C4' energy: -52.865
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: -68.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -773.006495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.006495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.006495 (E_RNA)
where:
Base-Base interactions energy: -530.731
where: short stacking energy: -227.895
Base-Backbone interact. energy: -0.263
local terms energy: -242.012562
where:
bonds (distance) C4'-P energy: -36.109
bonds (distance) P-C4' energy: -39.788
flat angles C4'-P-C4' energy: -53.453
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -70.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -709.544898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.544898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.544898 (E_RNA)
where:
Base-Base interactions energy: -505.407
where: short stacking energy: -202.596
Base-Backbone interact. energy: -0.644
local terms energy: -203.493871
where:
bonds (distance) C4'-P energy: -43.683
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -48.217
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: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -659.110240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.110240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.110240 (E_RNA)
where:
Base-Base interactions energy: -421.379
where: short stacking energy: -198.154
Base-Backbone interact. energy: 0.095
local terms energy: -237.826177
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -52.987
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -56.833
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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -542.299571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.299571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.299571 (E_RNA)
where:
Base-Base interactions energy: -342.167
where: short stacking energy: -141.810
Base-Backbone interact. energy: -0.521
local terms energy: -199.612245
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -51.914
flat angles P-C4'-P energy: -22.294
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: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -230.328771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.328771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.328771 (E_RNA)
where:
Base-Base interactions energy: -65.999
where: short stacking energy: -58.504
Base-Backbone interact. energy: -0.641
local terms energy: -163.689103
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: 6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -968.299448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.299448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.299448 (E_RNA)
where:
Base-Base interactions energy: -673.737
where: short stacking energy: -289.729
Base-Backbone interact. energy: -1.748
local terms energy: -292.814693
where:
bonds (distance) C4'-P energy: -50.115
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -61.595
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -88.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -942.577320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.577320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.577320 (E_RNA)
where:
Base-Base interactions energy: -661.234
where: short stacking energy: -279.374
Base-Backbone interact. energy: -0.612
local terms energy: -280.731060
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -59.086
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -83.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -862.528310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.528310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.528310 (E_RNA)
where:
Base-Base interactions energy: -584.422
where: short stacking energy: -262.319
Base-Backbone interact. energy: -0.713
local terms energy: -277.393841
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -41.493
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -72.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -848.981052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.981052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.981052 (E_RNA)
where:
Base-Base interactions energy: -577.659
where: short stacking energy: -249.947
Base-Backbone interact. energy: 1.217
local terms energy: -272.539277
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -61.151
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -72.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -785.147698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.147698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.147698 (E_RNA)
where:
Base-Base interactions energy: -523.866
where: short stacking energy: -236.034
Base-Backbone interact. energy: -1.363
local terms energy: -259.918765
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -51.081
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -67.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -793.455111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.455111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.455111 (E_RNA)
where:
Base-Base interactions energy: -552.378
where: short stacking energy: -216.803
Base-Backbone interact. energy: 0.050
local terms energy: -241.127037
where:
bonds (distance) C4'-P energy: -50.695
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -48.533
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -57.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -733.085415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.085415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.085415 (E_RNA)
where:
Base-Base interactions energy: -489.575
where: short stacking energy: -189.116
Base-Backbone interact. energy: -0.719
local terms energy: -242.791363
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -52.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -646.378081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.378081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.378081 (E_RNA)
where:
Base-Base interactions energy: -410.589
where: short stacking energy: -182.542
Base-Backbone interact. energy: -1.005
local terms energy: -234.784452
where:
bonds (distance) C4'-P energy: -61.101
bonds (distance) P-C4' energy: -52.567
flat angles C4'-P-C4' energy: -43.406
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -43.253
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: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -542.698966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.698966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.698966 (E_RNA)
where:
Base-Base interactions energy: -364.809
where: short stacking energy: -163.470
Base-Backbone interact. energy: -0.363
local terms energy: -177.527522
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -43.154
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -36.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -218.885188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.885188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.885188 (E_RNA)
where:
Base-Base interactions energy: -71.895
where: short stacking energy: -66.227
Base-Backbone interact. energy: 0.019
local terms energy: -147.009375
where:
bonds (distance) C4'-P energy: -47.928
bonds (distance) P-C4' energy: -44.983
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: 11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -971.032885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.032885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.032885 (E_RNA)
where:
Base-Base interactions energy: -678.611
where: short stacking energy: -297.968
Base-Backbone interact. energy: -1.504
local terms energy: -290.918556
where:
bonds (distance) C4'-P energy: -56.406
bonds (distance) P-C4' energy: -45.179
flat angles C4'-P-C4' energy: -60.989
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -87.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -931.686915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.686915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.686915 (E_RNA)
where:
Base-Base interactions energy: -639.728
where: short stacking energy: -278.548
Base-Backbone interact. energy: -1.417
local terms energy: -290.541658
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -57.778
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -82.182
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: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -861.327961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.327961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.327961 (E_RNA)
where:
Base-Base interactions energy: -587.028
where: short stacking energy: -262.906
Base-Backbone interact. energy: -0.439
local terms energy: -273.860641
where:
bonds (distance) C4'-P energy: -47.717
bonds (distance) P-C4' energy: -57.390
flat angles C4'-P-C4' energy: -54.261
flat angles P-C4'-P energy: -43.811
tors. eta vs tors. theta energy: -70.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -838.817325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.817325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.817325 (E_RNA)
where:
Base-Base interactions energy: -570.927
where: short stacking energy: -245.358
Base-Backbone interact. energy: -0.618
local terms energy: -267.272374
where:
bonds (distance) C4'-P energy: -48.390
bonds (distance) P-C4' energy: -54.917
flat angles C4'-P-C4' energy: -57.701
flat angles P-C4'-P energy: -30.990
tors. eta vs tors. theta energy: -75.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -763.797134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.797134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.797134 (E_RNA)
where:
Base-Base interactions energy: -524.348
where: short stacking energy: -225.336
Base-Backbone interact. energy: -0.649
local terms energy: -238.800172
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -46.490
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -58.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -814.756796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.756796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.756796 (E_RNA)
where:
Base-Base interactions energy: -562.571
where: short stacking energy: -239.721
Base-Backbone interact. energy: 1.210
local terms energy: -253.396482
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -31.556
tors. eta vs tors. theta energy: -66.423
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: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -727.676984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.676984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.676984 (E_RNA)
where:
Base-Base interactions energy: -483.088
where: short stacking energy: -202.333
Base-Backbone interact. energy: -0.743
local terms energy: -243.846314
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -48.924
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -57.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -655.369932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.369932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.369932 (E_RNA)
where:
Base-Base interactions energy: -453.026
where: short stacking energy: -204.778
Base-Backbone interact. energy: -0.522
local terms energy: -201.822141
where:
bonds (distance) C4'-P energy: -44.295
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -51.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -515.508003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.508003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.508003 (E_RNA)
where:
Base-Base interactions energy: -332.287
where: short stacking energy: -144.311
Base-Backbone interact. energy: 0.814
local terms energy: -184.035580
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -45.915
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -219.139164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.139164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.139164 (E_RNA)
where:
Base-Base interactions energy: -76.861
where: short stacking energy: -68.763
Base-Backbone interact. energy: 0.346
local terms energy: -142.623989
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -44.989
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -960.044362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.044362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.044362 (E_RNA)
where:
Base-Base interactions energy: -667.957
where: short stacking energy: -288.241
Base-Backbone interact. energy: -1.307
local terms energy: -290.780951
where:
bonds (distance) C4'-P energy: -52.784
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -43.179
tors. eta vs tors. theta energy: -84.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -937.951019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.951019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.951019 (E_RNA)
where:
Base-Base interactions energy: -642.963
where: short stacking energy: -289.433
Base-Backbone interact. energy: -1.370
local terms energy: -293.618612
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -91.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -866.542937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.542937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.542937 (E_RNA)
where:
Base-Base interactions energy: -595.813
where: short stacking energy: -268.495
Base-Backbone interact. energy: -0.411
local terms energy: -270.319107
where:
bonds (distance) C4'-P energy: -48.366
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -76.064
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: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -836.195317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.195317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.195317 (E_RNA)
where:
Base-Base interactions energy: -572.899
where: short stacking energy: -231.317
Base-Backbone interact. energy: -1.025
local terms energy: -262.271352
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -56.318
flat angles C4'-P-C4' energy: -54.930
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: -70.100
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: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -786.823685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.823685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.823685 (E_RNA)
where:
Base-Base interactions energy: -527.740
where: short stacking energy: -215.509
Base-Backbone interact. energy: 0.880
local terms energy: -259.963684
where:
bonds (distance) C4'-P energy: -57.812
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -38.861
tors. eta vs tors. theta energy: -65.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -756.936286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.936286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.936286 (E_RNA)
where:
Base-Base interactions energy: -508.451
where: short stacking energy: -221.863
Base-Backbone interact. energy: -1.254
local terms energy: -247.231306
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -48.650
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -35.295
tors. eta vs tors. theta energy: -61.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -740.982063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.982063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.982063 (E_RNA)
where:
Base-Base interactions energy: -501.020
where: short stacking energy: -214.067
Base-Backbone interact. energy: -0.037
local terms energy: -239.924578
where:
bonds (distance) C4'-P energy: -47.937
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -47.991
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -67.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -683.863959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.863959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.863959 (E_RNA)
where:
Base-Base interactions energy: -467.239
where: short stacking energy: -199.018
Base-Backbone interact. energy: -0.455
local terms energy: -216.169532
where:
bonds (distance) C4'-P energy: -43.215
bonds (distance) P-C4' energy: -38.768
flat angles C4'-P-C4' energy: -51.462
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -55.564
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: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -563.195706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.195706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.195706 (E_RNA)
where:
Base-Base interactions energy: -367.718
where: short stacking energy: -152.444
Base-Backbone interact. energy: 1.846
local terms energy: -197.323710
where:
bonds (distance) C4'-P energy: -40.673
bonds (distance) P-C4' energy: -49.798
flat angles C4'-P-C4' energy: -43.763
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -45.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -227.619475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.619475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.619475 (E_RNA)
where:
Base-Base interactions energy: -81.810
where: short stacking energy: -80.685
Base-Backbone interact. energy: -1.046
local terms energy: -144.763592
where:
bonds (distance) C4'-P energy: -36.166
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -21.320
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -968.965243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.965243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.965243 (E_RNA)
where:
Base-Base interactions energy: -680.412
where: short stacking energy: -280.123
Base-Backbone interact. energy: -1.310
local terms energy: -287.243276
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -64.634
flat angles P-C4'-P energy: -40.340
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: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -940.602978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.602978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.602978 (E_RNA)
where:
Base-Base interactions energy: -663.489
where: short stacking energy: -287.521
Base-Backbone interact. energy: 2.716
local terms energy: -279.830026
where:
bonds (distance) C4'-P energy: -57.371
bonds (distance) P-C4' energy: -39.408
flat angles C4'-P-C4' energy: -59.468
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -80.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -871.267201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.267201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.267201 (E_RNA)
where:
Base-Base interactions energy: -584.073
where: short stacking energy: -262.542
Base-Backbone interact. energy: -0.922
local terms energy: -286.271819
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -60.643
flat angles C4'-P-C4' energy: -57.614
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -68.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -861.576255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.576255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.576255 (E_RNA)
where:
Base-Base interactions energy: -592.638
where: short stacking energy: -244.017
Base-Backbone interact. energy: -0.718
local terms energy: -268.220426
where:
bonds (distance) C4'-P energy: -49.778
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -76.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -803.668730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.668730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.668730 (E_RNA)
where:
Base-Base interactions energy: -551.327
where: short stacking energy: -244.466
Base-Backbone interact. energy: -1.634
local terms energy: -250.707813
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -52.100
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: -66.655
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: 397
Temperature: 1.150000
Total energy: -733.448728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.448728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.448728 (E_RNA)
where:
Base-Base interactions energy: -485.603
where: short stacking energy: -197.878
Base-Backbone interact. energy: -0.795
local terms energy: -247.051070
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -59.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -723.924019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.924019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.924019 (E_RNA)
where:
Base-Base interactions energy: -493.830
where: short stacking energy: -207.466
Base-Backbone interact. energy: -1.538
local terms energy: -228.556172
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -47.824
flat angles C4'-P-C4' energy: -42.169
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -61.454
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: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -653.237324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.237324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.237324 (E_RNA)
where:
Base-Base interactions energy: -437.623
where: short stacking energy: -173.605
Base-Backbone interact. energy: -0.626
local terms energy: -214.988064
where:
bonds (distance) C4'-P energy: -48.046
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -51.673
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -46.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -582.068960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.068960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.068960 (E_RNA)
where:
Base-Base interactions energy: -390.023
where: short stacking energy: -172.079
Base-Backbone interact. energy: 6.472
local terms energy: -198.518129
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -46.066
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -37.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -221.617222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.617222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.617222 (E_RNA)
where:
Base-Base interactions energy: -73.168
where: short stacking energy: -62.782
Base-Backbone interact. energy: 0.513
local terms energy: -148.962833
where:
bonds (distance) C4'-P energy: -46.304
bonds (distance) P-C4' energy: -48.494
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: 8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -965.616317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.616317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.616317 (E_RNA)
where:
Base-Base interactions energy: -660.667
where: short stacking energy: -292.388
Base-Backbone interact. energy: -0.785
local terms energy: -304.164909
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -59.472
flat angles C4'-P-C4' energy: -59.732
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -92.144
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: 398
Temperature: 0.950000
Total energy: -961.462249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.462249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.462249 (E_RNA)
where:
Base-Base interactions energy: -671.617
where: short stacking energy: -288.961
Base-Backbone interact. energy: 1.138
local terms energy: -290.982703
where:
bonds (distance) C4'-P energy: -51.281
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -54.091
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -88.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -859.765026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.765026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.765026 (E_RNA)
where:
Base-Base interactions energy: -583.346
where: short stacking energy: -250.877
Base-Backbone interact. energy: 0.150
local terms energy: -276.569129
where:
bonds (distance) C4'-P energy: -49.690
bonds (distance) P-C4' energy: -52.075
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -75.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -844.410679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.410679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.410679 (E_RNA)
where:
Base-Base interactions energy: -580.510
where: short stacking energy: -249.474
Base-Backbone interact. energy: -1.339
local terms energy: -262.562574
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -53.755
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -33.771
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: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -808.724305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.724305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.724305 (E_RNA)
where:
Base-Base interactions energy: -548.118
where: short stacking energy: -236.855
Base-Backbone interact. energy: 0.732
local terms energy: -261.338322
where:
bonds (distance) C4'-P energy: -52.841
bonds (distance) P-C4' energy: -40.683
flat angles C4'-P-C4' energy: -55.600
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -68.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -764.349663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.349663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.349663 (E_RNA)
where:
Base-Base interactions energy: -527.296
where: short stacking energy: -229.689
Base-Backbone interact. energy: -0.152
local terms energy: -236.901233
where:
bonds (distance) C4'-P energy: -39.319
bonds (distance) P-C4' energy: -47.280
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -36.128
tors. eta vs tors. theta energy: -61.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -743.682764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.682764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.682764 (E_RNA)
where:
Base-Base interactions energy: -513.049
where: short stacking energy: -229.014
Base-Backbone interact. energy: -0.124
local terms energy: -230.510269
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -63.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -644.505345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.505345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.505345 (E_RNA)
where:
Base-Base interactions energy: -424.808
where: short stacking energy: -189.497
Base-Backbone interact. energy: -0.472
local terms energy: -219.226049
where:
bonds (distance) C4'-P energy: -54.807
bonds (distance) P-C4' energy: -38.878
flat angles C4'-P-C4' energy: -49.085
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -542.153509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.153509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.153509 (E_RNA)
where:
Base-Base interactions energy: -359.103
where: short stacking energy: -167.425
Base-Backbone interact. energy: -0.481
local terms energy: -182.569441
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -38.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -224.371271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.371271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.371271 (E_RNA)
where:
Base-Base interactions energy: -89.368
where: short stacking energy: -81.025
Base-Backbone interact. energy: -1.688
local terms energy: -133.315606
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -4.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -981.948261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.948261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.948261 (E_RNA)
where:
Base-Base interactions energy: -668.163
where: short stacking energy: -295.590
Base-Backbone interact. energy: -0.732
local terms energy: -313.053456
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -39.612
tors. eta vs tors. theta energy: -93.760
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: 399
Temperature: 0.950000
Total energy: -947.061715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.061715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.061715 (E_RNA)
where:
Base-Base interactions energy: -661.698
where: short stacking energy: -277.359
Base-Backbone interact. energy: -1.882
local terms energy: -283.481970
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -59.591
flat angles C4'-P-C4' energy: -55.092
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -81.415
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: 399
Temperature: 1.000000
Total energy: -863.256885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.256885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.256885 (E_RNA)
where:
Base-Base interactions energy: -572.509
where: short stacking energy: -228.592
Base-Backbone interact. energy: -1.652
local terms energy: -289.096376
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -53.700
flat angles C4'-P-C4' energy: -63.019
flat angles P-C4'-P energy: -45.034
tors. eta vs tors. theta energy: -75.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -848.218832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.218832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.218832 (E_RNA)
where:
Base-Base interactions energy: -584.013
where: short stacking energy: -266.275
Base-Backbone interact. energy: -0.316
local terms energy: -263.890222
where:
bonds (distance) C4'-P energy: -52.235
bonds (distance) P-C4' energy: -55.344
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -37.854
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: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -822.218995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.218995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.218995 (E_RNA)
where:
Base-Base interactions energy: -547.678
where: short stacking energy: -239.989
Base-Backbone interact. energy: -3.006
local terms energy: -271.535679
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -61.311
flat angles P-C4'-P energy: -41.648
tors. eta vs tors. theta energy: -71.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -780.647959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.647959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.647959 (E_RNA)
where:
Base-Base interactions energy: -525.172
where: short stacking energy: -243.153
Base-Backbone interact. energy: -1.246
local terms energy: -254.229610
where:
bonds (distance) C4'-P energy: -53.827
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -53.853
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -71.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -740.201676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.201676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.201676 (E_RNA)
where:
Base-Base interactions energy: -491.095
where: short stacking energy: -221.611
Base-Backbone interact. energy: -0.772
local terms energy: -248.334573
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -64.826
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: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -651.510733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.510733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.510733 (E_RNA)
where:
Base-Base interactions energy: -424.900
where: short stacking energy: -171.753
Base-Backbone interact. energy: -0.806
local terms energy: -225.805359
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -47.571
flat angles C4'-P-C4' energy: -51.303
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -42.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -558.113430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.113430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.113430 (E_RNA)
where:
Base-Base interactions energy: -355.851
where: short stacking energy: -148.815
Base-Backbone interact. energy: -0.387
local terms energy: -201.875601
where:
bonds (distance) C4'-P energy: -42.352
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -51.370
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -38.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -213.990147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.990147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.990147 (E_RNA)
where:
Base-Base interactions energy: -77.192
where: short stacking energy: -66.387
Base-Backbone interact. energy: 0.171
local terms energy: -136.969186
where:
bonds (distance) C4'-P energy: -42.193
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: 10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -961.139284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.139284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.139284 (E_RNA)
where:
Base-Base interactions energy: -662.772
where: short stacking energy: -284.111
Base-Backbone interact. energy: 0.803
local terms energy: -299.170219
where:
bonds (distance) C4'-P energy: -54.303
bonds (distance) P-C4' energy: -58.856
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -92.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -948.776570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.776570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.776570 (E_RNA)
where:
Base-Base interactions energy: -665.109
where: short stacking energy: -275.393
Base-Backbone interact. energy: -1.186
local terms energy: -282.481858
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -49.467
flat angles C4'-P-C4' energy: -64.580
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -78.557
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: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -868.534859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.534859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.534859 (E_RNA)
where:
Base-Base interactions energy: -602.237
where: short stacking energy: -279.936
Base-Backbone interact. energy: -0.501
local terms energy: -265.796719
where:
bonds (distance) C4'-P energy: -48.046
bonds (distance) P-C4' energy: -50.500
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -79.298
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: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -852.519758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.519758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.519758 (E_RNA)
where:
Base-Base interactions energy: -585.687
where: short stacking energy: -251.037
Base-Backbone interact. energy: -0.343
local terms energy: -266.490013
where:
bonds (distance) C4'-P energy: -45.781
bonds (distance) P-C4' energy: -49.438
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -79.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -810.640856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.640856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.640856 (E_RNA)
where:
Base-Base interactions energy: -552.793
where: short stacking energy: -243.694
Base-Backbone interact. energy: 0.454
local terms energy: -258.301488
where:
bonds (distance) C4'-P energy: -50.627
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -59.016
flat angles P-C4'-P energy: -31.788
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: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -772.646272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.646272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.646272 (E_RNA)
where:
Base-Base interactions energy: -526.449
where: short stacking energy: -222.554
Base-Backbone interact. energy: 0.393
local terms energy: -246.590361
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -55.659
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -67.788
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: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -727.473920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.473920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.473920 (E_RNA)
where:
Base-Base interactions energy: -478.359
where: short stacking energy: -194.858
Base-Backbone interact. energy: -0.569
local terms energy: -248.546395
where:
bonds (distance) C4'-P energy: -45.556
bonds (distance) P-C4' energy: -52.897
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -42.801
tors. eta vs tors. theta energy: -63.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -630.040038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.040038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.040038 (E_RNA)
where:
Base-Base interactions energy: -410.276
where: short stacking energy: -186.052
Base-Backbone interact. energy: 0.962
local terms energy: -220.725709
where:
bonds (distance) C4'-P energy: -42.555
bonds (distance) P-C4' energy: -45.712
flat angles C4'-P-C4' energy: -45.941
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: -53.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -553.806927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.806927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.806927 (E_RNA)
where:
Base-Base interactions energy: -359.357
where: short stacking energy: -142.227
Base-Backbone interact. energy: 0.912
local terms energy: -195.362437
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -55.608
flat angles C4'-P-C4' energy: -41.112
flat angles P-C4'-P energy: -20.886
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -240.593045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.593045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.593045 (E_RNA)
where:
Base-Base interactions energy: -91.059
where: short stacking energy: -81.050
Base-Backbone interact. energy: 3.063
local terms energy: -152.597427
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -44.749
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -960.962681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.962681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.962681 (E_RNA)
where:
Base-Base interactions energy: -660.634
where: short stacking energy: -290.617
Base-Backbone interact. energy: -0.281
local terms energy: -300.047493
where:
bonds (distance) C4'-P energy: -49.834
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -64.501
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: -84.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -950.644987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.644987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.644987 (E_RNA)
where:
Base-Base interactions energy: -647.718
where: short stacking energy: -279.511
Base-Backbone interact. energy: -0.617
local terms energy: -302.310569
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -58.823
flat angles P-C4'-P energy: -51.448
tors. eta vs tors. theta energy: -84.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -886.294083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.294083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.294083 (E_RNA)
where:
Base-Base interactions energy: -588.291
where: short stacking energy: -271.346
Base-Backbone interact. energy: -0.340
local terms energy: -297.662951
where:
bonds (distance) C4'-P energy: -58.910
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -62.951
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -79.456
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: 401
Temperature: 1.050000
Total energy: -821.334705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.334705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.334705 (E_RNA)
where:
Base-Base interactions energy: -562.675
where: short stacking energy: -239.356
Base-Backbone interact. energy: -0.900
local terms energy: -257.759455
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -56.781
flat angles C4'-P-C4' energy: -48.756
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -64.243
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -802.330223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.330223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.330223 (E_RNA)
where:
Base-Base interactions energy: -538.260
where: short stacking energy: -239.201
Base-Backbone interact. energy: -0.982
local terms energy: -263.088432
where:
bonds (distance) C4'-P energy: -50.191
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -54.418
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -69.645
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: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -773.474963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.474963 (E_RNA)
where:
Base-Base interactions energy: -540.639
where: short stacking energy: -223.114
Base-Backbone interact. energy: -0.463
local terms energy: -232.372377
where:
bonds (distance) C4'-P energy: -45.971
bonds (distance) P-C4' energy: -39.256
flat angles C4'-P-C4' energy: -52.677
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -66.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -739.137278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.137278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.137278 (E_RNA)
where:
Base-Base interactions energy: -497.204
where: short stacking energy: -206.369
Base-Backbone interact. energy: -1.053
local terms energy: -240.880545
where:
bonds (distance) C4'-P energy: -51.411
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -52.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -627.386047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.386047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.386047 (E_RNA)
where:
Base-Base interactions energy: -405.058
where: short stacking energy: -181.755
Base-Backbone interact. energy: -0.895
local terms energy: -221.432769
where:
bonds (distance) C4'-P energy: -61.828
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -53.330
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -39.930
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: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -531.505562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.505562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.505562 (E_RNA)
where:
Base-Base interactions energy: -343.291
where: short stacking energy: -145.083
Base-Backbone interact. energy: 4.725
local terms energy: -192.939302
where:
bonds (distance) C4'-P energy: -39.732
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -48.412
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -221.109158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.109158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.109158 (E_RNA)
where:
Base-Base interactions energy: -67.302
where: short stacking energy: -64.552
Base-Backbone interact. energy: -0.513
local terms energy: -153.294210
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -39.708
flat angles C4'-P-C4' energy: -42.933
flat angles P-C4'-P energy: -23.374
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: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -929.775400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.775400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.775400 (E_RNA)
where:
Base-Base interactions energy: -644.196
where: short stacking energy: -268.626
Base-Backbone interact. energy: -1.809
local terms energy: -283.769700
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -49.013
flat angles C4'-P-C4' energy: -63.090
flat angles P-C4'-P energy: -43.753
tors. eta vs tors. theta energy: -79.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -942.442558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.442558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.442558 (E_RNA)
where:
Base-Base interactions energy: -656.969
where: short stacking energy: -283.398
Base-Backbone interact. energy: -2.682
local terms energy: -282.792408
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -54.980
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -40.280
tors. eta vs tors. theta energy: -78.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -860.579683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.579683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.579683 (E_RNA)
where:
Base-Base interactions energy: -580.910
where: short stacking energy: -261.015
Base-Backbone interact. energy: -0.545
local terms energy: -279.124982
where:
bonds (distance) C4'-P energy: -49.704
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -58.300
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -81.304
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: 402
Temperature: 1.050000
Total energy: -848.234362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.234362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.234362 (E_RNA)
where:
Base-Base interactions energy: -575.754
where: short stacking energy: -246.791
Base-Backbone interact. energy: 4.350
local terms energy: -276.830673
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -49.853
flat angles C4'-P-C4' energy: -63.608
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: -72.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -794.378384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.378384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.378384 (E_RNA)
where:
Base-Base interactions energy: -538.938
where: short stacking energy: -234.280
Base-Backbone interact. energy: -1.480
local terms energy: -253.960398
where:
bonds (distance) C4'-P energy: -48.362
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -32.300
tors. eta vs tors. theta energy: -58.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -759.352611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.352611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.352611 (E_RNA)
where:
Base-Base interactions energy: -514.134
where: short stacking energy: -223.851
Base-Backbone interact. energy: -0.691
local terms energy: -244.527941
where:
bonds (distance) C4'-P energy: -43.968
bonds (distance) P-C4' energy: -55.724
flat angles C4'-P-C4' energy: -42.377
flat angles P-C4'-P energy: -41.789
tors. eta vs tors. theta energy: -60.670
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: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -750.420327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.420327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.420327 (E_RNA)
where:
Base-Base interactions energy: -531.537
where: short stacking energy: -238.182
Base-Backbone interact. energy: -1.939
local terms energy: -216.944322
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -54.082
flat angles P-C4'-P energy: -28.758
tors. eta vs tors. theta energy: -55.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -673.449699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.449699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.449699 (E_RNA)
where:
Base-Base interactions energy: -463.159
where: short stacking energy: -209.720
Base-Backbone interact. energy: -0.695
local terms energy: -209.595511
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -45.075
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: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -538.207885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.207885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.207885 (E_RNA)
where:
Base-Base interactions energy: -373.096
where: short stacking energy: -134.207
Base-Backbone interact. energy: -1.069
local terms energy: -164.043254
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -49.910
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -24.580
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: 402
Temperature: 1.350000
Total energy: -225.191897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.191897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.191897 (E_RNA)
where:
Base-Base interactions energy: -75.943
where: short stacking energy: -64.989
Base-Backbone interact. energy: 0.267
local terms energy: -149.515864
where:
bonds (distance) C4'-P energy: -39.017
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -42.542
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: 5.407
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: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -954.088037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.088037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.088037 (E_RNA)
where:
Base-Base interactions energy: -666.592
where: short stacking energy: -273.337
Base-Backbone interact. energy: 0.087
local terms energy: -287.582801
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -76.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -932.500574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.500574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.500574 (E_RNA)
where:
Base-Base interactions energy: -654.657
where: short stacking energy: -289.375
Base-Backbone interact. energy: -1.036
local terms energy: -276.807378
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -85.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -869.017321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.017321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.017321 (E_RNA)
where:
Base-Base interactions energy: -596.118
where: short stacking energy: -262.870
Base-Backbone interact. energy: -1.131
local terms energy: -271.768147
where:
bonds (distance) C4'-P energy: -50.237
bonds (distance) P-C4' energy: -55.860
flat angles C4'-P-C4' energy: -54.570
flat angles P-C4'-P energy: -39.443
tors. eta vs tors. theta energy: -71.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -828.586308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.586308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.586308 (E_RNA)
where:
Base-Base interactions energy: -573.161
where: short stacking energy: -230.224
Base-Backbone interact. energy: -1.121
local terms energy: -254.304282
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -50.508
flat angles C4'-P-C4' energy: -58.997
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -64.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -775.034745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.034745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.034745 (E_RNA)
where:
Base-Base interactions energy: -532.233
where: short stacking energy: -225.275
Base-Backbone interact. energy: -0.911
local terms energy: -241.890904
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -54.103
flat angles C4'-P-C4' energy: -51.933
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -63.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -744.532752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.532752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.532752 (E_RNA)
where:
Base-Base interactions energy: -521.695
where: short stacking energy: -226.931
Base-Backbone interact. energy: -0.448
local terms energy: -222.389863
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -53.313
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -55.918
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: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -733.087868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.087868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.087868 (E_RNA)
where:
Base-Base interactions energy: -520.539
where: short stacking energy: -203.197
Base-Backbone interact. energy: -0.178
local terms energy: -212.370788
where:
bonds (distance) C4'-P energy: -45.477
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -44.991
flat angles P-C4'-P energy: -31.480
tors. eta vs tors. theta energy: -60.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -650.469264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.469264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.469264 (E_RNA)
where:
Base-Base interactions energy: -434.672
where: short stacking energy: -190.373
Base-Backbone interact. energy: -0.062
local terms energy: -215.734888
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -50.929
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -50.248
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: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -511.383991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.383991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.383991 (E_RNA)
where:
Base-Base interactions energy: -310.146
where: short stacking energy: -147.196
Base-Backbone interact. energy: -0.649
local terms energy: -200.589871
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -36.918
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -228.713815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.713815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.713815 (E_RNA)
where:
Base-Base interactions energy: -77.519
where: short stacking energy: -47.966
Base-Backbone interact. energy: -1.393
local terms energy: -149.802436
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -45.794
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: 11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -974.592164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.592164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.592164 (E_RNA)
where:
Base-Base interactions energy: -683.493
where: short stacking energy: -285.547
Base-Backbone interact. energy: -0.609
local terms energy: -290.490390
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -52.809
flat angles C4'-P-C4' energy: -59.794
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -86.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -938.335506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.335506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.335506 (E_RNA)
where:
Base-Base interactions energy: -658.507
where: short stacking energy: -277.037
Base-Backbone interact. energy: -0.543
local terms energy: -279.285131
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -50.166
flat angles C4'-P-C4' energy: -57.924
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -81.069
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: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -874.127748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.127748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.127748 (E_RNA)
where:
Base-Base interactions energy: -590.246
where: short stacking energy: -267.308
Base-Backbone interact. energy: -0.410
local terms energy: -283.472382
where:
bonds (distance) C4'-P energy: -57.417
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -54.958
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -79.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -845.676277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.676277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.676277 (E_RNA)
where:
Base-Base interactions energy: -607.146
where: short stacking energy: -248.221
Base-Backbone interact. energy: 0.354
local terms energy: -238.883799
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -49.579
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -74.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -782.436568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.436568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.436568 (E_RNA)
where:
Base-Base interactions energy: -528.125
where: short stacking energy: -224.467
Base-Backbone interact. energy: -1.120
local terms energy: -253.192210
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -56.743
flat angles C4'-P-C4' energy: -54.524
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: -58.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -754.906116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.906116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.906116 (E_RNA)
where:
Base-Base interactions energy: -509.658
where: short stacking energy: -215.795
Base-Backbone interact. energy: -0.677
local terms energy: -244.570902
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -54.433
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: -54.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -716.326631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.326631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.326631 (E_RNA)
where:
Base-Base interactions energy: -475.808
where: short stacking energy: -223.533
Base-Backbone interact. energy: -0.282
local terms energy: -240.236635
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -44.742
flat angles C4'-P-C4' energy: -58.579
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -66.389
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: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -671.805935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.805935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.805935 (E_RNA)
where:
Base-Base interactions energy: -449.095
where: short stacking energy: -188.375
Base-Backbone interact. energy: 1.059
local terms energy: -223.769819
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -50.946
flat angles C4'-P-C4' energy: -45.471
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -50.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -515.723662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.723662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.723662 (E_RNA)
where:
Base-Base interactions energy: -330.613
where: short stacking energy: -154.346
Base-Backbone interact. energy: -0.714
local terms energy: -184.396320
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -47.162
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -30.556
tors. eta vs tors. theta energy: -31.254
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: 404
Temperature: 1.350000
Total energy: -224.571385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.571385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.571385 (E_RNA)
where:
Base-Base interactions energy: -78.673
where: short stacking energy: -66.657
Base-Backbone interact. energy: -0.826
local terms energy: -145.072172
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -49.939
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -963.036198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.036198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.036198 (E_RNA)
where:
Base-Base interactions energy: -677.442
where: short stacking energy: -286.718
Base-Backbone interact. energy: 0.812
local terms energy: -286.405274
where:
bonds (distance) C4'-P energy: -53.091
bonds (distance) P-C4' energy: -42.070
flat angles C4'-P-C4' energy: -60.849
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -86.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -946.011598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.011598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.011598 (E_RNA)
where:
Base-Base interactions energy: -662.706
where: short stacking energy: -272.218
Base-Backbone interact. energy: -1.425
local terms energy: -281.880420
where:
bonds (distance) C4'-P energy: -46.256
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -61.689
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -90.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -867.463311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.463311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.463311 (E_RNA)
where:
Base-Base interactions energy: -591.177
where: short stacking energy: -261.539
Base-Backbone interact. energy: -0.418
local terms energy: -275.868133
where:
bonds (distance) C4'-P energy: -48.626
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -34.801
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: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -814.258237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.258237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.258237 (E_RNA)
where:
Base-Base interactions energy: -550.713
where: short stacking energy: -243.150
Base-Backbone interact. energy: -1.028
local terms energy: -262.516599
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -50.615
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -70.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -806.225447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.225447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.225447 (E_RNA)
where:
Base-Base interactions energy: -559.619
where: short stacking energy: -231.138
Base-Backbone interact. energy: -0.850
local terms energy: -245.756490
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -51.854
flat angles P-C4'-P energy: -35.886
tors. eta vs tors. theta energy: -62.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -757.133240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.133240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.133240 (E_RNA)
where:
Base-Base interactions energy: -505.332
where: short stacking energy: -215.470
Base-Backbone interact. energy: -1.276
local terms energy: -250.525058
where:
bonds (distance) C4'-P energy: -36.845
bonds (distance) P-C4' energy: -56.728
flat angles C4'-P-C4' energy: -56.735
flat angles P-C4'-P energy: -38.439
tors. eta vs tors. theta energy: -61.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -743.277254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.277254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.277254 (E_RNA)
where:
Base-Base interactions energy: -509.281
where: short stacking energy: -214.884
Base-Backbone interact. energy: 0.237
local terms energy: -234.233561
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -42.134
tors. eta vs tors. theta energy: -54.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -640.547454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.547454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.547454 (E_RNA)
where:
Base-Base interactions energy: -418.471
where: short stacking energy: -192.743
Base-Backbone interact. energy: 2.287
local terms energy: -224.362860
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -53.375
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -50.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -459.673097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.673097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.673097 (E_RNA)
where:
Base-Base interactions energy: -283.669
where: short stacking energy: -148.192
Base-Backbone interact. energy: -2.882
local terms energy: -173.122462
where:
bonds (distance) C4'-P energy: -38.757
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -32.317
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -249.661697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.661697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.661697 (E_RNA)
where:
Base-Base interactions energy: -105.097
where: short stacking energy: -66.314
Base-Backbone interact. energy: -0.570
local terms energy: -143.994058
where:
bonds (distance) C4'-P energy: -42.647
bonds (distance) P-C4' energy: -47.754
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: 9.237
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: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -979.007958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.007958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.007958 (E_RNA)
where:
Base-Base interactions energy: -676.770
where: short stacking energy: -295.809
Base-Backbone interact. energy: -0.744
local terms energy: -301.492997
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -57.094
flat angles C4'-P-C4' energy: -62.680
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -94.776
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -950.612774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.612774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.612774 (E_RNA)
where:
Base-Base interactions energy: -659.536
where: short stacking energy: -286.918
Base-Backbone interact. energy: -0.237
local terms energy: -290.839122
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -62.750
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -872.725513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.725513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.725513 (E_RNA)
where:
Base-Base interactions energy: -583.012
where: short stacking energy: -255.116
Base-Backbone interact. energy: -1.089
local terms energy: -288.624469
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -51.892
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -81.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -829.126778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.126778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.126778 (E_RNA)
where:
Base-Base interactions energy: -578.822
where: short stacking energy: -251.127
Base-Backbone interact. energy: -1.030
local terms energy: -249.275266
where:
bonds (distance) C4'-P energy: -43.816
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -55.301
flat angles P-C4'-P energy: -36.439
tors. eta vs tors. theta energy: -68.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -848.957808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.957808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.957808 (E_RNA)
where:
Base-Base interactions energy: -577.433
where: short stacking energy: -243.804
Base-Backbone interact. energy: -1.125
local terms energy: -270.399549
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -76.082
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -764.610240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.610240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.610240 (E_RNA)
where:
Base-Base interactions energy: -526.697
where: short stacking energy: -230.665
Base-Backbone interact. energy: -0.443
local terms energy: -237.470188
where:
bonds (distance) C4'-P energy: -46.593
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -54.075
flat angles P-C4'-P energy: -30.818
tors. eta vs tors. theta energy: -59.394
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: 406
Temperature: 1.200000
Total energy: -759.420833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.420833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.420833 (E_RNA)
where:
Base-Base interactions energy: -514.444
where: short stacking energy: -215.337
Base-Backbone interact. energy: -0.697
local terms energy: -244.280176
where:
bonds (distance) C4'-P energy: -49.243
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -44.513
flat angles P-C4'-P energy: -41.209
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: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -601.078666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.078666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.078666 (E_RNA)
where:
Base-Base interactions energy: -403.928
where: short stacking energy: -173.589
Base-Backbone interact. energy: 0.092
local terms energy: -197.242340
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -54.535
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -37.413
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -432.293835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.293835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.293835 (E_RNA)
where:
Base-Base interactions energy: -254.214
where: short stacking energy: -135.880
Base-Backbone interact. energy: -0.447
local terms energy: -177.632334
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -50.467
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -24.640
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: 406
Temperature: 1.350000
Total energy: -226.133181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.133181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.133181 (E_RNA)
where:
Base-Base interactions energy: -77.198
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.162
local terms energy: -148.772838
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -46.735
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: 10.329
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: 407
Temperature: 0.900000
Total energy: -974.291333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.291333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.291333 (E_RNA)
where:
Base-Base interactions energy: -686.785
where: short stacking energy: -294.681
Base-Backbone interact. energy: 0.935
local terms energy: -288.441284
where:
bonds (distance) C4'-P energy: -49.066
bonds (distance) P-C4' energy: -54.291
flat angles C4'-P-C4' energy: -59.170
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -86.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -953.065894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.065894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.065894 (E_RNA)
where:
Base-Base interactions energy: -660.901
where: short stacking energy: -270.306
Base-Backbone interact. energy: -1.573
local terms energy: -290.592049
where:
bonds (distance) C4'-P energy: -51.159
bonds (distance) P-C4' energy: -59.676
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -853.922661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.922661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.922661 (E_RNA)
where:
Base-Base interactions energy: -577.016
where: short stacking energy: -256.782
Base-Backbone interact. energy: -0.051
local terms energy: -276.855890
where:
bonds (distance) C4'-P energy: -48.168
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -47.241
tors. eta vs tors. theta energy: -72.375
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: 407
Temperature: 1.050000
Total energy: -847.374565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.374565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.374565 (E_RNA)
where:
Base-Base interactions energy: -579.326
where: short stacking energy: -246.743
Base-Backbone interact. energy: -2.338
local terms energy: -265.710278
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -47.627
flat angles C4'-P-C4' energy: -57.346
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -73.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -794.306093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.306093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.306093 (E_RNA)
where:
Base-Base interactions energy: -567.101
where: short stacking energy: -249.321
Base-Backbone interact. energy: 0.816
local terms energy: -228.020943
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -42.590
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -62.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -761.865961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.865961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.865961 (E_RNA)
where:
Base-Base interactions energy: -512.886
where: short stacking energy: -221.823
Base-Backbone interact. energy: -0.415
local terms energy: -248.564685
where:
bonds (distance) C4'-P energy: -48.562
bonds (distance) P-C4' energy: -44.998
flat angles C4'-P-C4' energy: -56.783
flat angles P-C4'-P energy: -40.358
tors. eta vs tors. theta energy: -57.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -734.841474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.841474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.841474 (E_RNA)
where:
Base-Base interactions energy: -491.245
where: short stacking energy: -210.559
Base-Backbone interact. energy: 1.415
local terms energy: -245.010997
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -48.366
flat angles C4'-P-C4' energy: -57.938
flat angles P-C4'-P energy: -39.468
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: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -612.653937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.653937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.653937 (E_RNA)
where:
Base-Base interactions energy: -398.122
where: short stacking energy: -177.145
Base-Backbone interact. energy: -0.678
local terms energy: -213.853517
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -52.689
flat angles C4'-P-C4' energy: -51.025
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -38.730
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: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -412.401295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.401295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.401295 (E_RNA)
where:
Base-Base interactions energy: -240.886
where: short stacking energy: -113.196
Base-Backbone interact. energy: -1.037
local terms energy: -170.478122
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -7.396
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: 407
Temperature: 1.350000
Total energy: -246.352633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.352633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.352633 (E_RNA)
where:
Base-Base interactions energy: -97.840
where: short stacking energy: -79.096
Base-Backbone interact. energy: 1.244
local terms energy: -149.756576
where:
bonds (distance) C4'-P energy: -36.178
bonds (distance) P-C4' energy: -48.482
flat angles C4'-P-C4' energy: -45.818
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -968.268362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.268362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.268362 (E_RNA)
where:
Base-Base interactions energy: -665.081
where: short stacking energy: -293.523
Base-Backbone interact. energy: -0.697
local terms energy: -302.490447
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -62.087
flat angles P-C4'-P energy: -40.856
tors. eta vs tors. theta energy: -93.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -938.603158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.603158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.603158 (E_RNA)
where:
Base-Base interactions energy: -656.081
where: short stacking energy: -278.290
Base-Backbone interact. energy: -0.301
local terms energy: -282.221245
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -87.157
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: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -877.202592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.202592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.202592 (E_RNA)
where:
Base-Base interactions energy: -601.182
where: short stacking energy: -268.914
Base-Backbone interact. energy: -0.321
local terms energy: -275.700039
where:
bonds (distance) C4'-P energy: -56.620
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: -78.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -835.867175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.867175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.867175 (E_RNA)
where:
Base-Base interactions energy: -558.055
where: short stacking energy: -245.570
Base-Backbone interact. energy: 0.562
local terms energy: -278.374728
where:
bonds (distance) C4'-P energy: -51.030
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -54.120
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -80.731
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: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -768.463018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.463018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.463018 (E_RNA)
where:
Base-Base interactions energy: -524.952
where: short stacking energy: -223.721
Base-Backbone interact. energy: -0.382
local terms energy: -243.129478
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -50.284
flat angles C4'-P-C4' energy: -48.116
flat angles P-C4'-P energy: -38.181
tors. eta vs tors. theta energy: -61.897
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: 408
Temperature: 1.150000
Total energy: -803.656976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.656976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.656976 (E_RNA)
where:
Base-Base interactions energy: -542.584
where: short stacking energy: -239.014
Base-Backbone interact. energy: -0.488
local terms energy: -260.585076
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -52.683
flat angles C4'-P-C4' energy: -47.446
flat angles P-C4'-P energy: -35.160
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: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -733.240209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.240209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.240209 (E_RNA)
where:
Base-Base interactions energy: -492.879
where: short stacking energy: -203.512
Base-Backbone interact. energy: 0.867
local terms energy: -241.228141
where:
bonds (distance) C4'-P energy: -59.748
bonds (distance) P-C4' energy: -46.184
flat angles C4'-P-C4' energy: -48.033
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -57.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -586.194266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.194266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.194266 (E_RNA)
where:
Base-Base interactions energy: -383.648
where: short stacking energy: -159.604
Base-Backbone interact. energy: -1.641
local terms energy: -200.905391
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -54.496
flat angles C4'-P-C4' energy: -42.474
flat angles P-C4'-P energy: -30.474
tors. eta vs tors. theta energy: -31.735
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: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -420.495867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.495867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.495867 (E_RNA)
where:
Base-Base interactions energy: -262.507
where: short stacking energy: -114.857
Base-Backbone interact. energy: 0.725
local terms energy: -158.714207
where:
bonds (distance) C4'-P energy: -46.368
bonds (distance) P-C4' energy: -36.529
flat angles C4'-P-C4' energy: -34.828
flat angles P-C4'-P energy: -25.615
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -234.896964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.896964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.896964 (E_RNA)
where:
Base-Base interactions energy: -78.397
where: short stacking energy: -67.132
Base-Backbone interact. energy: -0.039
local terms energy: -156.461056
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -46.349
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -955.660209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.660209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.660209 (E_RNA)
where:
Base-Base interactions energy: -647.613
where: short stacking energy: -274.747
Base-Backbone interact. energy: -0.512
local terms energy: -307.535153
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -58.182
flat angles C4'-P-C4' energy: -63.410
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -90.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -940.654610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.654610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.654610 (E_RNA)
where:
Base-Base interactions energy: -642.246
where: short stacking energy: -263.049
Base-Backbone interact. energy: -1.007
local terms energy: -297.401816
where:
bonds (distance) C4'-P energy: -46.632
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -50.984
tors. eta vs tors. theta energy: -89.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -879.497644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.497644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.497644 (E_RNA)
where:
Base-Base interactions energy: -602.934
where: short stacking energy: -262.742
Base-Backbone interact. energy: -0.723
local terms energy: -275.840609
where:
bonds (distance) C4'-P energy: -48.081
bonds (distance) P-C4' energy: -51.289
flat angles C4'-P-C4' energy: -58.890
flat angles P-C4'-P energy: -34.987
tors. eta vs tors. theta energy: -82.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -829.936781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.936781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.936781 (E_RNA)
where:
Base-Base interactions energy: -565.647
where: short stacking energy: -258.935
Base-Backbone interact. energy: 0.264
local terms energy: -264.553435
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -46.207
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: -70.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -825.016504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.016504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.016504 (E_RNA)
where:
Base-Base interactions energy: -559.640
where: short stacking energy: -245.518
Base-Backbone interact. energy: -0.876
local terms energy: -264.500173
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -61.405
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -74.443
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: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -777.719346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.719346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.719346 (E_RNA)
where:
Base-Base interactions energy: -533.234
where: short stacking energy: -232.726
Base-Backbone interact. energy: -0.105
local terms energy: -244.379733
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -41.922
flat angles C4'-P-C4' energy: -52.671
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -65.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -764.501417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.501417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.501417 (E_RNA)
where:
Base-Base interactions energy: -534.306
where: short stacking energy: -219.662
Base-Backbone interact. energy: -0.058
local terms energy: -230.137565
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -48.598
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -60.855
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: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -570.888542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.888542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.888542 (E_RNA)
where:
Base-Base interactions energy: -348.623
where: short stacking energy: -166.767
Base-Backbone interact. energy: -1.459
local terms energy: -220.806320
where:
bonds (distance) C4'-P energy: -44.613
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -45.766
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -36.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -467.303437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.303437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.303437 (E_RNA)
where:
Base-Base interactions energy: -290.134
where: short stacking energy: -123.383
Base-Backbone interact. energy: -0.870
local terms energy: -176.299894
where:
bonds (distance) C4'-P energy: -44.093
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -41.783
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -241.090372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.090372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.090372 (E_RNA)
where:
Base-Base interactions energy: -86.500
where: short stacking energy: -80.648
Base-Backbone interact. energy: -0.856
local terms energy: -153.734282
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -47.632
flat angles C4'-P-C4' energy: -40.091
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: 4.703
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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -962.139977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.139977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.139977 (E_RNA)
where:
Base-Base interactions energy: -669.506
where: short stacking energy: -275.295
Base-Backbone interact. energy: -0.218
local terms energy: -292.416837
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -84.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -931.727840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.727840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.727840 (E_RNA)
where:
Base-Base interactions energy: -645.075
where: short stacking energy: -270.082
Base-Backbone interact. energy: -0.902
local terms energy: -285.750234
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -59.486
flat angles P-C4'-P energy: -43.922
tors. eta vs tors. theta energy: -84.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -869.241074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.241074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.241074 (E_RNA)
where:
Base-Base interactions energy: -613.915
where: short stacking energy: -261.892
Base-Backbone interact. energy: 0.688
local terms energy: -256.014262
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -71.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -804.468609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.468609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.468609 (E_RNA)
where:
Base-Base interactions energy: -542.824
where: short stacking energy: -249.832
Base-Backbone interact. energy: 0.388
local terms energy: -262.032240
where:
bonds (distance) C4'-P energy: -42.052
bonds (distance) P-C4' energy: -53.949
flat angles C4'-P-C4' energy: -58.786
flat angles P-C4'-P energy: -37.768
tors. eta vs tors. theta energy: -69.477
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: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -817.379909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.379909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.379909 (E_RNA)
where:
Base-Base interactions energy: -557.394
where: short stacking energy: -235.581
Base-Backbone interact. energy: -0.998
local terms energy: -258.988155
where:
bonds (distance) C4'-P energy: -46.543
bonds (distance) P-C4' energy: -49.294
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -38.251
tors. eta vs tors. theta energy: -69.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -779.288321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.288321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.288321 (E_RNA)
where:
Base-Base interactions energy: -525.954
where: short stacking energy: -221.103
Base-Backbone interact. energy: -0.711
local terms energy: -252.623285
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -54.913
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -57.792
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: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -720.409971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.409971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.409971 (E_RNA)
where:
Base-Base interactions energy: -493.890
where: short stacking energy: -201.084
Base-Backbone interact. energy: -0.946
local terms energy: -225.573708
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -49.366
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: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -547.536839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.536839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.536839 (E_RNA)
where:
Base-Base interactions energy: -350.861
where: short stacking energy: -164.043
Base-Backbone interact. energy: -0.430
local terms energy: -196.245253
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -45.991
flat angles P-C4'-P energy: -37.293
tors. eta vs tors. theta energy: -29.851
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: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -416.837160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.837160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.837160 (E_RNA)
where:
Base-Base interactions energy: -235.189
where: short stacking energy: -116.201
Base-Backbone interact. energy: 4.777
local terms energy: -186.425349
where:
bonds (distance) C4'-P energy: -46.328
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -48.111
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -13.974
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: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -226.052692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.052692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.052692 (E_RNA)
where:
Base-Base interactions energy: -93.545
where: short stacking energy: -74.403
Base-Backbone interact. energy: -1.132
local terms energy: -131.375645
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: 5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -962.419957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.419957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.419957 (E_RNA)
where:
Base-Base interactions energy: -666.476
where: short stacking energy: -282.004
Base-Backbone interact. energy: -0.929
local terms energy: -295.014301
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -56.372
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -89.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -935.626791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.626791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.626791 (E_RNA)
where:
Base-Base interactions energy: -660.618
where: short stacking energy: -280.418
Base-Backbone interact. energy: 0.204
local terms energy: -275.212425
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -45.632
flat angles C4'-P-C4' energy: -60.938
flat angles P-C4'-P energy: -39.286
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: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -873.649693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.649693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.649693 (E_RNA)
where:
Base-Base interactions energy: -599.234
where: short stacking energy: -263.057
Base-Backbone interact. energy: -0.783
local terms energy: -273.632317
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -42.926
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -44.947
tors. eta vs tors. theta energy: -80.731
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: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -825.908321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.908321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.908321 (E_RNA)
where:
Base-Base interactions energy: -569.858
where: short stacking energy: -260.552
Base-Backbone interact. energy: -0.055
local terms energy: -255.995364
where:
bonds (distance) C4'-P energy: -41.322
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -52.980
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -68.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -803.079451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.079451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.079451 (E_RNA)
where:
Base-Base interactions energy: -540.274
where: short stacking energy: -245.574
Base-Backbone interact. energy: -0.860
local terms energy: -261.945345
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -45.648
flat angles C4'-P-C4' energy: -63.434
flat angles P-C4'-P energy: -42.174
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: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -763.073603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.073603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.073603 (E_RNA)
where:
Base-Base interactions energy: -531.839
where: short stacking energy: -236.079
Base-Backbone interact. energy: -1.545
local terms energy: -229.689831
where:
bonds (distance) C4'-P energy: -43.738
bonds (distance) P-C4' energy: -40.662
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -37.636
tors. eta vs tors. theta energy: -58.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -715.998401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.998401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.998401 (E_RNA)
where:
Base-Base interactions energy: -475.233
where: short stacking energy: -197.972
Base-Backbone interact. energy: -0.134
local terms energy: -240.631841
where:
bonds (distance) C4'-P energy: -40.975
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -54.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -581.799588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.799588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.799588 (E_RNA)
where:
Base-Base interactions energy: -380.740
where: short stacking energy: -181.003
Base-Backbone interact. energy: -0.969
local terms energy: -200.090357
where:
bonds (distance) C4'-P energy: -46.218
bonds (distance) P-C4' energy: -36.697
flat angles C4'-P-C4' energy: -45.457
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -40.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -369.934028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.934028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.934028 (E_RNA)
where:
Base-Base interactions energy: -218.367
where: short stacking energy: -107.407
Base-Backbone interact. energy: 0.445
local terms energy: -152.012205
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -45.377
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -224.752470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.752470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.752470 (E_RNA)
where:
Base-Base interactions energy: -91.295
where: short stacking energy: -74.634
Base-Backbone interact. energy: 0.994
local terms energy: -134.451056
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -39.782
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: 8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -972.319466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.319466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.319466 (E_RNA)
where:
Base-Base interactions energy: -663.355
where: short stacking energy: -283.608
Base-Backbone interact. energy: -0.985
local terms energy: -307.979568
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -54.159
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -90.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -932.061638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.061638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.061638 (E_RNA)
where:
Base-Base interactions energy: -641.114
where: short stacking energy: -286.496
Base-Backbone interact. energy: -0.874
local terms energy: -290.074390
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -87.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -859.421159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.421159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.421159 (E_RNA)
where:
Base-Base interactions energy: -585.915
where: short stacking energy: -241.553
Base-Backbone interact. energy: -1.442
local terms energy: -272.064574
where:
bonds (distance) C4'-P energy: -50.164
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -75.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -853.775258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.775258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.775258 (E_RNA)
where:
Base-Base interactions energy: -587.114
where: short stacking energy: -278.314
Base-Backbone interact. energy: -0.578
local terms energy: -266.083140
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -50.376
flat angles C4'-P-C4' energy: -60.229
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: -77.361
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: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -816.518300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.518300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.518300 (E_RNA)
where:
Base-Base interactions energy: -553.744
where: short stacking energy: -231.976
Base-Backbone interact. energy: -0.903
local terms energy: -261.871926
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -68.936
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: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -752.061749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.061749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.061749 (E_RNA)
where:
Base-Base interactions energy: -508.332
where: short stacking energy: -218.057
Base-Backbone interact. energy: -1.148
local terms energy: -242.581132
where:
bonds (distance) C4'-P energy: -46.536
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -54.898
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -59.620
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: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -721.855345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.855345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.855345 (E_RNA)
where:
Base-Base interactions energy: -498.526
where: short stacking energy: -202.681
Base-Backbone interact. energy: -0.823
local terms energy: -222.505923
where:
bonds (distance) C4'-P energy: -42.935
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -45.892
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -58.897
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: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -590.400229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.400229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.400229 (E_RNA)
where:
Base-Base interactions energy: -369.884
where: short stacking energy: -161.716
Base-Backbone interact. energy: -0.984
local terms energy: -219.532550
where:
bonds (distance) C4'-P energy: -51.083
bonds (distance) P-C4' energy: -55.440
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -40.615
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: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -409.859265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.859265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.859265 (E_RNA)
where:
Base-Base interactions energy: -245.333
where: short stacking energy: -111.009
Base-Backbone interact. energy: 0.588
local terms energy: -165.114660
where:
bonds (distance) C4'-P energy: -39.257
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -47.008
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -226.207770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.207770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.207770 (E_RNA)
where:
Base-Base interactions energy: -70.853
where: short stacking energy: -60.619
Base-Backbone interact. energy: 0.915
local terms energy: -156.269199
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -59.217
flat angles C4'-P-C4' energy: -38.667
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: 8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -967.282203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.282203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.282203 (E_RNA)
where:
Base-Base interactions energy: -665.808
where: short stacking energy: -281.587
Base-Backbone interact. energy: 1.084
local terms energy: -302.558688
where:
bonds (distance) C4'-P energy: -59.278
bonds (distance) P-C4' energy: -58.420
flat angles C4'-P-C4' energy: -55.656
flat angles P-C4'-P energy: -41.891
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: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -956.740635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.740635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.740635 (E_RNA)
where:
Base-Base interactions energy: -664.399
where: short stacking energy: -286.525
Base-Backbone interact. energy: -1.979
local terms energy: -290.362560
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -50.377
flat angles C4'-P-C4' energy: -61.441
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -90.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -867.017198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.017198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.017198 (E_RNA)
where:
Base-Base interactions energy: -589.074
where: short stacking energy: -254.525
Base-Backbone interact. energy: -0.387
local terms energy: -277.556510
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -55.396
flat angles P-C4'-P energy: -44.072
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: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -843.677637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.677637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.677637 (E_RNA)
where:
Base-Base interactions energy: -577.988
where: short stacking energy: -256.022
Base-Backbone interact. energy: -0.632
local terms energy: -265.057426
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -76.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -809.603493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.603493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.603493 (E_RNA)
where:
Base-Base interactions energy: -557.510
where: short stacking energy: -251.564
Base-Backbone interact. energy: -0.101
local terms energy: -251.992080
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -42.482
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -35.444
tors. eta vs tors. theta energy: -73.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -750.923614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.923614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.923614 (E_RNA)
where:
Base-Base interactions energy: -502.750
where: short stacking energy: -206.112
Base-Backbone interact. energy: -0.111
local terms energy: -248.062527
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -51.586
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -61.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -735.459550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.459550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.459550 (E_RNA)
where:
Base-Base interactions energy: -518.615
where: short stacking energy: -219.837
Base-Backbone interact. energy: -1.611
local terms energy: -215.232960
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -47.544
flat angles C4'-P-C4' energy: -48.604
flat angles P-C4'-P energy: -28.297
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -646.050474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.050474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.050474 (E_RNA)
where:
Base-Base interactions energy: -420.463
where: short stacking energy: -186.792
Base-Backbone interact. energy: -1.326
local terms energy: -224.261899
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -51.930
flat angles C4'-P-C4' energy: -56.428
flat angles P-C4'-P energy: -37.661
tors. eta vs tors. theta energy: -43.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -419.094663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.094663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.094663 (E_RNA)
where:
Base-Base interactions energy: -235.336
where: short stacking energy: -102.453
Base-Backbone interact. energy: 0.810
local terms energy: -184.568550
where:
bonds (distance) C4'-P energy: -47.259
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -42.383
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -16.442
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: 413
Temperature: 1.350000
Total energy: -234.971769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.971769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.971769 (E_RNA)
where:
Base-Base interactions energy: -90.607
where: short stacking energy: -76.737
Base-Backbone interact. energy: 0.423
local terms energy: -144.787346
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -43.510
flat angles C4'-P-C4' energy: -43.002
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: 7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -970.399851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.399851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.399851 (E_RNA)
where:
Base-Base interactions energy: -672.819
where: short stacking energy: -293.156
Base-Backbone interact. energy: -0.018
local terms energy: -297.562378
where:
bonds (distance) C4'-P energy: -61.240
bonds (distance) P-C4' energy: -50.333
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -87.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -953.885383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.885383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.885383 (E_RNA)
where:
Base-Base interactions energy: -664.212
where: short stacking energy: -281.827
Base-Backbone interact. energy: -0.857
local terms energy: -288.816192
where:
bonds (distance) C4'-P energy: -40.956
bonds (distance) P-C4' energy: -52.688
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -90.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -851.455231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.455231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.455231 (E_RNA)
where:
Base-Base interactions energy: -580.529
where: short stacking energy: -259.693
Base-Backbone interact. energy: 1.553
local terms energy: -272.479597
where:
bonds (distance) C4'-P energy: -51.104
bonds (distance) P-C4' energy: -53.482
flat angles C4'-P-C4' energy: -56.499
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -73.399
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: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -832.147160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.147160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.147160 (E_RNA)
where:
Base-Base interactions energy: -564.761
where: short stacking energy: -228.462
Base-Backbone interact. energy: -0.996
local terms energy: -266.390743
where:
bonds (distance) C4'-P energy: -54.474
bonds (distance) P-C4' energy: -54.558
flat angles C4'-P-C4' energy: -48.788
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -74.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -775.581912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.581912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.581912 (E_RNA)
where:
Base-Base interactions energy: -538.516
where: short stacking energy: -239.913
Base-Backbone interact. energy: -0.182
local terms energy: -236.883921
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -41.546
flat angles C4'-P-C4' energy: -51.231
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -780.111290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.111290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.111290 (E_RNA)
where:
Base-Base interactions energy: -524.084
where: short stacking energy: -221.951
Base-Backbone interact. energy: -1.354
local terms energy: -254.673064
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -48.884
flat angles P-C4'-P energy: -42.356
tors. eta vs tors. theta energy: -68.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -739.516121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.516121 (E_RNA)
where:
Base-Base interactions energy: -516.736
where: short stacking energy: -228.499
Base-Backbone interact. energy: 0.769
local terms energy: -223.549310
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -50.955
flat angles C4'-P-C4' energy: -48.690
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -61.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -636.393576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.393576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.393576 (E_RNA)
where:
Base-Base interactions energy: -409.884
where: short stacking energy: -187.263
Base-Backbone interact. energy: -0.521
local terms energy: -225.988236
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -54.056
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -52.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -401.788324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.788324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.788324 (E_RNA)
where:
Base-Base interactions energy: -219.848
where: short stacking energy: -102.855
Base-Backbone interact. energy: -0.377
local terms energy: -181.563720
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -222.084813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.084813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.084813 (E_RNA)
where:
Base-Base interactions energy: -64.318
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.937
local terms energy: -156.829431
where:
bonds (distance) C4'-P energy: -40.089
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -47.423
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: 5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -966.169960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.169960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.169960 (E_RNA)
where:
Base-Base interactions energy: -668.500
where: short stacking energy: -286.106
Base-Backbone interact. energy: -0.670
local terms energy: -297.000052
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -59.582
flat angles P-C4'-P energy: -35.523
tors. eta vs tors. theta energy: -88.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -949.088796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.088796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.088796 (E_RNA)
where:
Base-Base interactions energy: -662.869
where: short stacking energy: -283.104
Base-Backbone interact. energy: -0.556
local terms energy: -285.662929
where:
bonds (distance) C4'-P energy: -46.787
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -59.184
flat angles P-C4'-P energy: -40.848
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: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -844.541328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.541328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.541328 (E_RNA)
where:
Base-Base interactions energy: -570.269
where: short stacking energy: -246.431
Base-Backbone interact. energy: -0.435
local terms energy: -273.836880
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -54.083
flat angles C4'-P-C4' energy: -57.606
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -68.335
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: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -835.222898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.222898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.222898 (E_RNA)
where:
Base-Base interactions energy: -584.581
where: short stacking energy: -251.287
Base-Backbone interact. energy: -0.957
local terms energy: -249.684050
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -43.312
flat angles C4'-P-C4' energy: -54.578
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -71.092
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: 415
Temperature: 1.100000
Total energy: -773.837965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.837965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.837965 (E_RNA)
where:
Base-Base interactions energy: -534.328
where: short stacking energy: -236.460
Base-Backbone interact. energy: -0.291
local terms energy: -239.219802
where:
bonds (distance) C4'-P energy: -38.992
bonds (distance) P-C4' energy: -45.398
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: -66.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -775.654462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.654462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.654462 (E_RNA)
where:
Base-Base interactions energy: -538.072
where: short stacking energy: -230.155
Base-Backbone interact. energy: -1.494
local terms energy: -236.088078
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -47.142
flat angles C4'-P-C4' energy: -61.113
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -58.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -730.901670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.901670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.901670 (E_RNA)
where:
Base-Base interactions energy: -500.477
where: short stacking energy: -202.453
Base-Backbone interact. energy: -0.805
local terms energy: -229.619786
where:
bonds (distance) C4'-P energy: -41.627
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -52.036
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -51.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -713.315521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.315521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.315521 (E_RNA)
where:
Base-Base interactions energy: -463.637
where: short stacking energy: -221.732
Base-Backbone interact. energy: -0.970
local terms energy: -248.708251
where:
bonds (distance) C4'-P energy: -56.224
bonds (distance) P-C4' energy: -35.796
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -36.582
tors. eta vs tors. theta energy: -65.695
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: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -406.492584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.492584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.492584 (E_RNA)
where:
Base-Base interactions energy: -221.764
where: short stacking energy: -113.961
Base-Backbone interact. energy: -0.449
local terms energy: -184.280345
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -52.338
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -239.592136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.592136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.592136 (E_RNA)
where:
Base-Base interactions energy: -85.847
where: short stacking energy: -74.999
Base-Backbone interact. energy: -0.653
local terms energy: -153.091958
where:
bonds (distance) C4'-P energy: -47.433
bonds (distance) P-C4' energy: -43.228
flat angles C4'-P-C4' energy: -39.450
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -966.650428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.650428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.650428 (E_RNA)
where:
Base-Base interactions energy: -668.323
where: short stacking energy: -289.114
Base-Backbone interact. energy: -0.856
local terms energy: -297.471288
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -50.553
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: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -934.848785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.848785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.848785 (E_RNA)
where:
Base-Base interactions energy: -638.480
where: short stacking energy: -274.091
Base-Backbone interact. energy: 0.339
local terms energy: -296.706976
where:
bonds (distance) C4'-P energy: -52.543
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -58.316
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: -83.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -843.853104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.853104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.853104 (E_RNA)
where:
Base-Base interactions energy: -573.609
where: short stacking energy: -252.213
Base-Backbone interact. energy: -0.452
local terms energy: -269.791708
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -55.906
flat angles C4'-P-C4' energy: -56.558
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: -75.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -831.359498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.359498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.359498 (E_RNA)
where:
Base-Base interactions energy: -576.582
where: short stacking energy: -239.872
Base-Backbone interact. energy: -1.106
local terms energy: -253.670939
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -41.852
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -30.611
tors. eta vs tors. theta energy: -67.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -784.741373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.741373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.741373 (E_RNA)
where:
Base-Base interactions energy: -554.550
where: short stacking energy: -241.402
Base-Backbone interact. energy: 2.087
local terms energy: -232.278730
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -55.085
flat angles C4'-P-C4' energy: -47.032
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -67.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -767.975323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.975323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.975323 (E_RNA)
where:
Base-Base interactions energy: -529.656
where: short stacking energy: -223.540
Base-Backbone interact. energy: -0.003
local terms energy: -238.316341
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -52.689
flat angles P-C4'-P energy: -33.000
tors. eta vs tors. theta energy: -57.060
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: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -745.971994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.971994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.971994 (E_RNA)
where:
Base-Base interactions energy: -514.092
where: short stacking energy: -207.393
Base-Backbone interact. energy: -0.384
local terms energy: -231.496538
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -47.730
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -35.347
tors. eta vs tors. theta energy: -55.527
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: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -690.639010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.639010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.639010 (E_RNA)
where:
Base-Base interactions energy: -468.544
where: short stacking energy: -199.619
Base-Backbone interact. energy: -1.238
local terms energy: -220.857692
where:
bonds (distance) C4'-P energy: -43.555
bonds (distance) P-C4' energy: -50.210
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: -52.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -361.985113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.985113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.985113 (E_RNA)
where:
Base-Base interactions energy: -199.563
where: short stacking energy: -93.452
Base-Backbone interact. energy: -1.051
local terms energy: -161.371204
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -35.118
flat angles P-C4'-P energy: -27.946
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -220.194949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.194949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.194949 (E_RNA)
where:
Base-Base interactions energy: -81.331
where: short stacking energy: -73.470
Base-Backbone interact. energy: -1.602
local terms energy: -137.261195
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -48.235
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -0.163
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: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -961.529031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.529031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.529031 (E_RNA)
where:
Base-Base interactions energy: -657.771
where: short stacking energy: -278.919
Base-Backbone interact. energy: 0.006
local terms energy: -303.764627
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -53.411
flat angles C4'-P-C4' energy: -59.040
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -89.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -945.754651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.754651 (E_RNA)
where:
Base-Base interactions energy: -653.996
where: short stacking energy: -277.902
Base-Backbone interact. energy: -0.811
local terms energy: -290.948011
where:
bonds (distance) C4'-P energy: -48.575
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -62.219
flat angles P-C4'-P energy: -42.378
tors. eta vs tors. theta energy: -85.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -866.005384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.005384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.005384 (E_RNA)
where:
Base-Base interactions energy: -579.033
where: short stacking energy: -268.377
Base-Backbone interact. energy: -1.972
local terms energy: -285.000667
where:
bonds (distance) C4'-P energy: -49.310
bonds (distance) P-C4' energy: -55.423
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -75.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -845.421682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.421682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.421682 (E_RNA)
where:
Base-Base interactions energy: -593.984
where: short stacking energy: -250.495
Base-Backbone interact. energy: -2.795
local terms energy: -248.642378
where:
bonds (distance) C4'-P energy: -49.145
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -65.784
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -778.645663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.645663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.645663 (E_RNA)
where:
Base-Base interactions energy: -528.453
where: short stacking energy: -233.917
Base-Backbone interact. energy: -1.199
local terms energy: -248.993807
where:
bonds (distance) C4'-P energy: -46.730
bonds (distance) P-C4' energy: -49.612
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -32.631
tors. eta vs tors. theta energy: -63.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -750.614460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.614460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.614460 (E_RNA)
where:
Base-Base interactions energy: -519.157
where: short stacking energy: -219.182
Base-Backbone interact. energy: -0.867
local terms energy: -230.589787
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -52.852
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -51.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -706.554818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.554818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.554818 (E_RNA)
where:
Base-Base interactions energy: -474.676
where: short stacking energy: -206.238
Base-Backbone interact. energy: -1.098
local terms energy: -230.780758
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -47.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -666.140908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.140908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.140908 (E_RNA)
where:
Base-Base interactions energy: -446.566
where: short stacking energy: -200.237
Base-Backbone interact. energy: -0.618
local terms energy: -218.957373
where:
bonds (distance) C4'-P energy: -41.954
bonds (distance) P-C4' energy: -39.728
flat angles C4'-P-C4' energy: -50.559
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -55.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -354.688353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.688353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.688353 (E_RNA)
where:
Base-Base interactions energy: -198.555
where: short stacking energy: -90.759
Base-Backbone interact. energy: -0.114
local terms energy: -156.019323
where:
bonds (distance) C4'-P energy: -37.568
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -232.157004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.157004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.157004 (E_RNA)
where:
Base-Base interactions energy: -79.837
where: short stacking energy: -73.149
Base-Backbone interact. energy: 5.144
local terms energy: -157.464497
where:
bonds (distance) C4'-P energy: -56.357
bonds (distance) P-C4' energy: -49.750
flat angles C4'-P-C4' energy: -43.452
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 2.791
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: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -974.610373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.610373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.610373 (E_RNA)
where:
Base-Base interactions energy: -678.997
where: short stacking energy: -280.917
Base-Backbone interact. energy: -0.304
local terms energy: -295.309404
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -52.189
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -46.506
tors. eta vs tors. theta energy: -88.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -926.466548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.466548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.466548 (E_RNA)
where:
Base-Base interactions energy: -638.189
where: short stacking energy: -278.189
Base-Backbone interact. energy: -0.865
local terms energy: -287.413111
where:
bonds (distance) C4'-P energy: -51.366
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -84.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -853.132541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.132541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.132541 (E_RNA)
where:
Base-Base interactions energy: -590.643
where: short stacking energy: -249.436
Base-Backbone interact. energy: -0.793
local terms energy: -261.695897
where:
bonds (distance) C4'-P energy: -42.241
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -62.502
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -67.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -838.730812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.730812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.730812 (E_RNA)
where:
Base-Base interactions energy: -571.360
where: short stacking energy: -262.481
Base-Backbone interact. energy: -0.030
local terms energy: -267.340263
where:
bonds (distance) C4'-P energy: -45.657
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -37.612
tors. eta vs tors. theta energy: -79.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -804.382133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.382133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.382133 (E_RNA)
where:
Base-Base interactions energy: -563.863
where: short stacking energy: -244.120
Base-Backbone interact. energy: -0.459
local terms energy: -240.060127
where:
bonds (distance) C4'-P energy: -38.216
bonds (distance) P-C4' energy: -49.895
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -39.363
tors. eta vs tors. theta energy: -65.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -750.333460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.333460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.333460 (E_RNA)
where:
Base-Base interactions energy: -505.491
where: short stacking energy: -217.710
Base-Backbone interact. energy: -0.339
local terms energy: -244.504319
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -42.769
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -58.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -758.788025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.788025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.788025 (E_RNA)
where:
Base-Base interactions energy: -532.881
where: short stacking energy: -220.558
Base-Backbone interact. energy: 1.458
local terms energy: -227.365272
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -48.914
flat angles C4'-P-C4' energy: -50.887
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -60.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -685.377815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.377815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.377815 (E_RNA)
where:
Base-Base interactions energy: -451.939
where: short stacking energy: -216.705
Base-Backbone interact. energy: -0.985
local terms energy: -232.453558
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -48.043
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -60.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -309.069924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.069924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.069924 (E_RNA)
where:
Base-Base interactions energy: -145.299
where: short stacking energy: -101.891
Base-Backbone interact. energy: -0.914
local terms energy: -162.857409
where:
bonds (distance) C4'-P energy: -48.213
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -12.205
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: 418
Temperature: 1.350000
Total energy: -221.857350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857350 (E_RNA)
where:
Base-Base interactions energy: -64.076
where: short stacking energy: -56.431
Base-Backbone interact. energy: 4.920
local terms energy: -162.701148
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -963.640637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.640637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.640637 (E_RNA)
where:
Base-Base interactions energy: -663.807
where: short stacking energy: -286.114
Base-Backbone interact. energy: -1.491
local terms energy: -298.342318
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -61.647
flat angles P-C4'-P energy: -46.837
tors. eta vs tors. theta energy: -92.266
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -945.836979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.836979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.836979 (E_RNA)
where:
Base-Base interactions energy: -651.088
where: short stacking energy: -274.098
Base-Backbone interact. energy: -0.315
local terms energy: -294.433657
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -48.536
flat angles C4'-P-C4' energy: -57.610
flat angles P-C4'-P energy: -44.855
tors. eta vs tors. theta energy: -87.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -858.099307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.099307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.099307 (E_RNA)
where:
Base-Base interactions energy: -592.801
where: short stacking energy: -245.768
Base-Backbone interact. energy: -0.158
local terms energy: -265.140632
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -59.016
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: -69.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -836.177519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.177519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.177519 (E_RNA)
where:
Base-Base interactions energy: -571.907
where: short stacking energy: -248.233
Base-Backbone interact. energy: -0.368
local terms energy: -263.902889
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -57.785
flat angles P-C4'-P energy: -40.637
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: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -819.330547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.330547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.330547 (E_RNA)
where:
Base-Base interactions energy: -543.146
where: short stacking energy: -248.881
Base-Backbone interact. energy: -0.683
local terms energy: -275.501628
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -46.861
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -70.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -782.336746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.336746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.336746 (E_RNA)
where:
Base-Base interactions energy: -543.996
where: short stacking energy: -223.423
Base-Backbone interact. energy: -1.052
local terms energy: -237.289035
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -50.275
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -62.766
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: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -735.582819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.582819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.582819 (E_RNA)
where:
Base-Base interactions energy: -495.759
where: short stacking energy: -205.299
Base-Backbone interact. energy: 0.952
local terms energy: -240.776231
where:
bonds (distance) C4'-P energy: -37.110
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -53.753
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -57.444
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: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -716.578711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.578711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.578711 (E_RNA)
where:
Base-Base interactions energy: -462.430
where: short stacking energy: -209.905
Base-Backbone interact. energy: -0.187
local terms energy: -253.961425
where:
bonds (distance) C4'-P energy: -52.506
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -54.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -299.209756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.209756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.209756 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -85.379
Base-Backbone interact. energy: -1.878
local terms energy: -170.941850
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -41.973
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -8.550
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: 419
Temperature: 1.350000
Total energy: -243.520863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.520863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.520863 (E_RNA)
where:
Base-Base interactions energy: -75.903
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.740
local terms energy: -166.877639
where:
bonds (distance) C4'-P energy: -47.517
bonds (distance) P-C4' energy: -47.886
flat angles C4'-P-C4' energy: -49.860
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -969.277146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.277146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.277146 (E_RNA)
where:
Base-Base interactions energy: -659.347
where: short stacking energy: -285.798
Base-Backbone interact. energy: -1.254
local terms energy: -308.676000
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -40.883
tors. eta vs tors. theta energy: -94.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -956.539639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.539639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.539639 (E_RNA)
where:
Base-Base interactions energy: -664.184
where: short stacking energy: -287.104
Base-Backbone interact. energy: -1.312
local terms energy: -291.043130
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -58.754
flat angles P-C4'-P energy: -45.669
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: 420
Temperature: 1.000000
Total energy: -837.148234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.148234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.148234 (E_RNA)
where:
Base-Base interactions energy: -567.019
where: short stacking energy: -242.485
Base-Backbone interact. energy: -1.169
local terms energy: -268.959721
where:
bonds (distance) C4'-P energy: -46.423
bonds (distance) P-C4' energy: -59.518
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -66.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -831.355487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.355487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.355487 (E_RNA)
where:
Base-Base interactions energy: -585.173
where: short stacking energy: -241.640
Base-Backbone interact. energy: -1.856
local terms energy: -244.326300
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -56.600
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -67.391
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: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -821.936350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.936350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.936350 (E_RNA)
where:
Base-Base interactions energy: -547.139
where: short stacking energy: -255.869
Base-Backbone interact. energy: -0.233
local terms energy: -274.564280
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -55.216
flat angles C4'-P-C4' energy: -59.812
flat angles P-C4'-P energy: -48.112
tors. eta vs tors. theta energy: -74.768
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: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -779.667467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.667467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.667467 (E_RNA)
where:
Base-Base interactions energy: -523.387
where: short stacking energy: -226.825
Base-Backbone interact. energy: -0.358
local terms energy: -255.922668
where:
bonds (distance) C4'-P energy: -48.885
bonds (distance) P-C4' energy: -51.475
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -65.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -704.447030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.447030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.447030 (E_RNA)
where:
Base-Base interactions energy: -480.138
where: short stacking energy: -194.119
Base-Backbone interact. energy: -1.310
local terms energy: -222.999096
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -46.124
flat angles C4'-P-C4' energy: -43.264
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -52.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -684.744284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.744284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.744284 (E_RNA)
where:
Base-Base interactions energy: -452.655
where: short stacking energy: -215.369
Base-Backbone interact. energy: -0.346
local terms energy: -231.743199
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -40.169
flat angles P-C4'-P energy: -29.866
tors. eta vs tors. theta energy: -63.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -317.525933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.525933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.525933 (E_RNA)
where:
Base-Base interactions energy: -154.823
where: short stacking energy: -83.959
Base-Backbone interact. energy: -1.213
local terms energy: -161.490387
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -226.208094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.208094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.208094 (E_RNA)
where:
Base-Base interactions energy: -88.950
where: short stacking energy: -66.549
Base-Backbone interact. energy: -1.124
local terms energy: -136.133913
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -50.594
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -3.033
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: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -975.900197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.900197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.900197 (E_RNA)
where:
Base-Base interactions energy: -678.765
where: short stacking energy: -294.437
Base-Backbone interact. energy: 1.828
local terms energy: -298.963330
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -48.844
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: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -945.612200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.612200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.612200 (E_RNA)
where:
Base-Base interactions energy: -645.489
where: short stacking energy: -284.022
Base-Backbone interact. energy: -0.793
local terms energy: -299.330022
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -56.320
flat angles C4'-P-C4' energy: -64.586
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -91.575
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: 421
Temperature: 1.000000
Total energy: -833.931686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.931686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.931686 (E_RNA)
where:
Base-Base interactions energy: -565.746
where: short stacking energy: -241.586
Base-Backbone interact. energy: -0.078
local terms energy: -268.108171
where:
bonds (distance) C4'-P energy: -47.718
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -60.706
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -67.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -820.945191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.945191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.945191 (E_RNA)
where:
Base-Base interactions energy: -566.440
where: short stacking energy: -253.362
Base-Backbone interact. energy: -1.597
local terms energy: -252.908565
where:
bonds (distance) C4'-P energy: -37.824
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -64.118
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -68.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -798.880065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.880065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.880065 (E_RNA)
where:
Base-Base interactions energy: -550.481
where: short stacking energy: -243.971
Base-Backbone interact. energy: -1.038
local terms energy: -247.361115
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -62.998
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -68.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -744.859754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.859754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.859754 (E_RNA)
where:
Base-Base interactions energy: -507.599
where: short stacking energy: -218.543
Base-Backbone interact. energy: -0.778
local terms energy: -236.482729
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -47.825
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -67.125
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -725.892323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.892323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.892323 (E_RNA)
where:
Base-Base interactions energy: -501.999
where: short stacking energy: -221.384
Base-Backbone interact. energy: -0.287
local terms energy: -223.606993
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -41.402
flat angles C4'-P-C4' energy: -49.173
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -56.826
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: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -690.215055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.215055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.215055 (E_RNA)
where:
Base-Base interactions energy: -456.964
where: short stacking energy: -206.631
Base-Backbone interact. energy: 0.887
local terms energy: -234.138363
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -53.330
flat angles C4'-P-C4' energy: -46.646
flat angles P-C4'-P energy: -35.426
tors. eta vs tors. theta energy: -54.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -310.606880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.606880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.606880 (E_RNA)
where:
Base-Base interactions energy: -143.568
where: short stacking energy: -91.395
Base-Backbone interact. energy: -0.244
local terms energy: -166.794655
where:
bonds (distance) C4'-P energy: -44.379
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -2.949
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: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -269.747801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.747801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.747801 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -71.023
Base-Backbone interact. energy: 1.191
local terms energy: -141.494763
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -48.658
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: 0.610
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: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -960.999602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.999602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.999602 (E_RNA)
where:
Base-Base interactions energy: -671.093
where: short stacking energy: -287.608
Base-Backbone interact. energy: 0.398
local terms energy: -290.304759
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -43.301
tors. eta vs tors. theta energy: -92.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -950.987107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.987107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.987107 (E_RNA)
where:
Base-Base interactions energy: -652.631
where: short stacking energy: -270.646
Base-Backbone interact. energy: -0.922
local terms energy: -297.434352
where:
bonds (distance) C4'-P energy: -59.608
bonds (distance) P-C4' energy: -54.223
flat angles C4'-P-C4' energy: -54.327
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -85.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -857.465889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.465889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.465889 (E_RNA)
where:
Base-Base interactions energy: -582.562
where: short stacking energy: -259.888
Base-Backbone interact. energy: -1.171
local terms energy: -273.733838
where:
bonds (distance) C4'-P energy: -48.137
bonds (distance) P-C4' energy: -53.446
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -69.176
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: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -824.775319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.775319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.775319 (E_RNA)
where:
Base-Base interactions energy: -551.239
where: short stacking energy: -233.425
Base-Backbone interact. energy: -0.546
local terms energy: -272.989605
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -55.078
flat angles C4'-P-C4' energy: -58.584
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -71.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -824.800878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.800878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.800878 (E_RNA)
where:
Base-Base interactions energy: -560.978
where: short stacking energy: -252.173
Base-Backbone interact. energy: -2.324
local terms energy: -261.499102
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -47.567
flat angles C4'-P-C4' energy: -60.031
flat angles P-C4'-P energy: -31.625
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: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -785.635738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.635738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.635738 (E_RNA)
where:
Base-Base interactions energy: -543.833
where: short stacking energy: -219.643
Base-Backbone interact. energy: 1.763
local terms energy: -243.566084
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -48.614
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -38.093
tors. eta vs tors. theta energy: -60.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -742.950584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.950584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.950584 (E_RNA)
where:
Base-Base interactions energy: -494.992
where: short stacking energy: -203.329
Base-Backbone interact. energy: 3.905
local terms energy: -251.863192
where:
bonds (distance) C4'-P energy: -51.574
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: -57.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -677.122817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.122817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.122817 (E_RNA)
where:
Base-Base interactions energy: -440.773
where: short stacking energy: -189.043
Base-Backbone interact. energy: 2.040
local terms energy: -238.390240
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -33.727
tors. eta vs tors. theta energy: -55.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -356.791297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.791297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.791297 (E_RNA)
where:
Base-Base interactions energy: -178.200
where: short stacking energy: -93.485
Base-Backbone interact. energy: -0.521
local terms energy: -178.070937
where:
bonds (distance) C4'-P energy: -49.535
bonds (distance) P-C4' energy: -57.390
flat angles C4'-P-C4' energy: -37.962
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -226.161379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.161379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.161379 (E_RNA)
where:
Base-Base interactions energy: -70.254
where: short stacking energy: -64.769
Base-Backbone interact. energy: 0.470
local terms energy: -156.377073
where:
bonds (distance) C4'-P energy: -48.845
bonds (distance) P-C4' energy: -41.502
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -966.600595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.600595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.600595 (E_RNA)
where:
Base-Base interactions energy: -674.487
where: short stacking energy: -290.221
Base-Backbone interact. energy: 1.241
local terms energy: -293.354129
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -49.120
flat angles C4'-P-C4' energy: -62.346
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: -93.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -958.787101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.787101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.787101 (E_RNA)
where:
Base-Base interactions energy: -657.028
where: short stacking energy: -277.511
Base-Backbone interact. energy: -0.916
local terms energy: -300.842898
where:
bonds (distance) C4'-P energy: -53.764
bonds (distance) P-C4' energy: -56.095
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -87.930
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -853.159297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.159297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.159297 (E_RNA)
where:
Base-Base interactions energy: -579.294
where: short stacking energy: -257.909
Base-Backbone interact. energy: -0.247
local terms energy: -273.617945
where:
bonds (distance) C4'-P energy: -42.408
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -60.846
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -71.855
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: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -841.397642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.397642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.397642 (E_RNA)
where:
Base-Base interactions energy: -578.999
where: short stacking energy: -247.329
Base-Backbone interact. energy: -0.914
local terms energy: -261.484776
where:
bonds (distance) C4'-P energy: -46.934
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -70.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -810.921805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.921805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.921805 (E_RNA)
where:
Base-Base interactions energy: -546.052
where: short stacking energy: -242.947
Base-Backbone interact. energy: -0.344
local terms energy: -264.524914
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -52.646
flat angles P-C4'-P energy: -43.385
tors. eta vs tors. theta energy: -69.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -765.842329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.842329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.842329 (E_RNA)
where:
Base-Base interactions energy: -528.689
where: short stacking energy: -222.340
Base-Backbone interact. energy: -1.563
local terms energy: -235.590485
where:
bonds (distance) C4'-P energy: -46.167
bonds (distance) P-C4' energy: -43.148
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -60.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -724.769589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.769589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.769589 (E_RNA)
where:
Base-Base interactions energy: -491.515
where: short stacking energy: -197.865
Base-Backbone interact. energy: -1.975
local terms energy: -231.280142
where:
bonds (distance) C4'-P energy: -33.827
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -49.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -583.457288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.457288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.457288 (E_RNA)
where:
Base-Base interactions energy: -379.003
where: short stacking energy: -156.806
Base-Backbone interact. energy: 0.596
local terms energy: -205.049572
where:
bonds (distance) C4'-P energy: -41.154
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -36.358
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: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -357.392730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.392730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.392730 (E_RNA)
where:
Base-Base interactions energy: -183.400
where: short stacking energy: -94.842
Base-Backbone interact. energy: -0.543
local terms energy: -173.448950
where:
bonds (distance) C4'-P energy: -47.406
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -52.485
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -253.441642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.441642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.441642 (E_RNA)
where:
Base-Base interactions energy: -82.566
where: short stacking energy: -71.984
Base-Backbone interact. energy: -1.403
local terms energy: -169.472924
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -48.726
flat angles C4'-P-C4' energy: -39.755
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -10.154
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: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -964.778259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.778259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.778259 (E_RNA)
where:
Base-Base interactions energy: -663.278
where: short stacking energy: -282.895
Base-Backbone interact. energy: 0.331
local terms energy: -301.831060
where:
bonds (distance) C4'-P energy: -56.006
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -60.829
flat angles P-C4'-P energy: -43.894
tors. eta vs tors. theta energy: -84.662
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -962.406146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.406146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.406146 (E_RNA)
where:
Base-Base interactions energy: -672.351
where: short stacking energy: -292.480
Base-Backbone interact. energy: -2.216
local terms energy: -287.839765
where:
bonds (distance) C4'-P energy: -51.752
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -87.943
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: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -861.856586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.856586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.856586 (E_RNA)
where:
Base-Base interactions energy: -590.712
where: short stacking energy: -250.302
Base-Backbone interact. energy: -0.115
local terms energy: -271.030179
where:
bonds (distance) C4'-P energy: -51.874
bonds (distance) P-C4' energy: -51.426
flat angles C4'-P-C4' energy: -57.664
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -72.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -851.372898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.372898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.372898 (E_RNA)
where:
Base-Base interactions energy: -581.516
where: short stacking energy: -257.253
Base-Backbone interact. energy: -1.329
local terms energy: -268.528767
where:
bonds (distance) C4'-P energy: -45.187
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -34.128
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: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -800.712386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.712386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.712386 (E_RNA)
where:
Base-Base interactions energy: -547.800
where: short stacking energy: -240.251
Base-Backbone interact. energy: -0.740
local terms energy: -252.173350
where:
bonds (distance) C4'-P energy: -43.371
bonds (distance) P-C4' energy: -52.424
flat angles C4'-P-C4' energy: -57.609
flat angles P-C4'-P energy: -30.052
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: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -782.017101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.017101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.017101 (E_RNA)
where:
Base-Base interactions energy: -534.457
where: short stacking energy: -239.258
Base-Backbone interact. energy: -0.358
local terms energy: -247.201502
where:
bonds (distance) C4'-P energy: -43.564
bonds (distance) P-C4' energy: -53.945
flat angles C4'-P-C4' energy: -51.143
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -65.370
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -725.415409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.415409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.415409 (E_RNA)
where:
Base-Base interactions energy: -487.665
where: short stacking energy: -202.835
Base-Backbone interact. energy: -0.393
local terms energy: -237.356969
where:
bonds (distance) C4'-P energy: -47.218
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -55.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -565.782106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.782106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.782106 (E_RNA)
where:
Base-Base interactions energy: -358.311
where: short stacking energy: -158.650
Base-Backbone interact. energy: -0.525
local terms energy: -206.946319
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -38.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -366.272678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.272678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.272678 (E_RNA)
where:
Base-Base interactions energy: -201.867
where: short stacking energy: -99.764
Base-Backbone interact. energy: -2.245
local terms energy: -162.160901
where:
bonds (distance) C4'-P energy: -48.118
bonds (distance) P-C4' energy: -40.026
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -217.701737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.701737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.701737 (E_RNA)
where:
Base-Base interactions energy: -75.165
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.863
local terms energy: -141.673992
where:
bonds (distance) C4'-P energy: -42.484
bonds (distance) P-C4' energy: -37.678
flat angles C4'-P-C4' energy: -34.283
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -6.052
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -964.328743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.328743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.328743 (E_RNA)
where:
Base-Base interactions energy: -667.068
where: short stacking energy: -281.504
Base-Backbone interact. energy: -0.459
local terms energy: -296.801646
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -45.248
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -44.853
tors. eta vs tors. theta energy: -89.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -946.156227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.156227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.156227 (E_RNA)
where:
Base-Base interactions energy: -658.442
where: short stacking energy: -284.221
Base-Backbone interact. energy: -1.673
local terms energy: -286.040494
where:
bonds (distance) C4'-P energy: -54.764
bonds (distance) P-C4' energy: -47.766
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -87.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -843.656262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.656262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.656262 (E_RNA)
where:
Base-Base interactions energy: -561.904
where: short stacking energy: -259.020
Base-Backbone interact. energy: 0.560
local terms energy: -282.312772
where:
bonds (distance) C4'-P energy: -49.680
bonds (distance) P-C4' energy: -55.059
flat angles C4'-P-C4' energy: -59.747
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: -74.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -845.763281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.763281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.763281 (E_RNA)
where:
Base-Base interactions energy: -588.652
where: short stacking energy: -244.055
Base-Backbone interact. energy: -0.608
local terms energy: -256.503032
where:
bonds (distance) C4'-P energy: -44.731
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -50.312
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -68.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -804.101079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.101079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.101079 (E_RNA)
where:
Base-Base interactions energy: -534.567
where: short stacking energy: -246.132
Base-Backbone interact. energy: 0.376
local terms energy: -269.909645
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -52.810
flat angles C4'-P-C4' energy: -57.309
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -74.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -770.066846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.066846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.066846 (E_RNA)
where:
Base-Base interactions energy: -544.279
where: short stacking energy: -227.565
Base-Backbone interact. energy: -1.474
local terms energy: -224.314273
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -49.123
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -59.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -738.592664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.592664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.592664 (E_RNA)
where:
Base-Base interactions energy: -510.882
where: short stacking energy: -213.050
Base-Backbone interact. energy: 0.715
local terms energy: -228.425769
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -68.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -551.589174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.589174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.589174 (E_RNA)
where:
Base-Base interactions energy: -321.796
where: short stacking energy: -158.938
Base-Backbone interact. energy: -1.336
local terms energy: -228.456661
where:
bonds (distance) C4'-P energy: -52.388
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -38.600
tors. eta vs tors. theta energy: -43.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -372.670333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.670333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.670333 (E_RNA)
where:
Base-Base interactions energy: -205.198
where: short stacking energy: -101.043
Base-Backbone interact. energy: -1.215
local terms energy: -166.257663
where:
bonds (distance) C4'-P energy: -40.479
bonds (distance) P-C4' energy: -33.972
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -31.278
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -233.552471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.552471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.552471 (E_RNA)
where:
Base-Base interactions energy: -90.806
where: short stacking energy: -74.856
Base-Backbone interact. energy: 0.889
local terms energy: -143.635008
where:
bonds (distance) C4'-P energy: -38.932
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -45.833
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: 7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -971.314889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.314889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.314889 (E_RNA)
where:
Base-Base interactions energy: -672.250
where: short stacking energy: -283.762
Base-Backbone interact. energy: -0.946
local terms energy: -298.118818
where:
bonds (distance) C4'-P energy: -52.536
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -86.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -938.754381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.754381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.754381 (E_RNA)
where:
Base-Base interactions energy: -650.406
where: short stacking energy: -277.655
Base-Backbone interact. energy: -2.127
local terms energy: -286.221426
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -55.682
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -85.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -855.799469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.799469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.799469 (E_RNA)
where:
Base-Base interactions energy: -600.895
where: short stacking energy: -258.281
Base-Backbone interact. energy: -0.422
local terms energy: -254.482935
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -47.979
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -62.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -829.931401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.931401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.931401 (E_RNA)
where:
Base-Base interactions energy: -563.139
where: short stacking energy: -250.424
Base-Backbone interact. energy: -0.928
local terms energy: -265.863682
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: -71.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -820.744679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.744679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.744679 (E_RNA)
where:
Base-Base interactions energy: -559.844
where: short stacking energy: -246.254
Base-Backbone interact. energy: -1.137
local terms energy: -259.763673
where:
bonds (distance) C4'-P energy: -44.580
bonds (distance) P-C4' energy: -54.110
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -68.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -760.444953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.444953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.444953 (E_RNA)
where:
Base-Base interactions energy: -519.209
where: short stacking energy: -212.213
Base-Backbone interact. energy: 0.045
local terms energy: -241.281137
where:
bonds (distance) C4'-P energy: -48.614
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: -62.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -728.996590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.996590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.996590 (E_RNA)
where:
Base-Base interactions energy: -500.015
where: short stacking energy: -214.813
Base-Backbone interact. energy: 0.113
local terms energy: -229.094831
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -50.087
flat angles P-C4'-P energy: -33.870
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: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -573.502448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.502448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.502448 (E_RNA)
where:
Base-Base interactions energy: -374.922
where: short stacking energy: -172.231
Base-Backbone interact. energy: 2.215
local terms energy: -200.795389
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -38.792
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -45.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -385.811203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.811203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.811203 (E_RNA)
where:
Base-Base interactions energy: -212.051
where: short stacking energy: -98.663
Base-Backbone interact. energy: 0.680
local terms energy: -174.440005
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -45.914
flat angles P-C4'-P energy: -32.226
tors. eta vs tors. theta energy: -9.484
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: 426
Temperature: 1.350000
Total energy: -264.146551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.146551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.146551 (E_RNA)
where:
Base-Base interactions energy: -122.396
where: short stacking energy: -83.251
Base-Backbone interact. energy: -0.593
local terms energy: -141.157317
where:
bonds (distance) C4'-P energy: -45.295
bonds (distance) P-C4' energy: -39.461
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -21.908
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: 427
Temperature: 0.900000
Total energy: -967.119351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.119351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.119351 (E_RNA)
where:
Base-Base interactions energy: -671.021
where: short stacking energy: -291.847
Base-Backbone interact. energy: -1.121
local terms energy: -294.976839
where:
bonds (distance) C4'-P energy: -47.979
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -42.476
tors. eta vs tors. theta energy: -92.685
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -953.167516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.167516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.167516 (E_RNA)
where:
Base-Base interactions energy: -659.736
where: short stacking energy: -292.592
Base-Backbone interact. energy: -0.623
local terms energy: -292.809058
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -60.006
flat angles P-C4'-P energy: -42.277
tors. eta vs tors. theta energy: -90.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -856.662653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.662653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.662653 (E_RNA)
where:
Base-Base interactions energy: -577.106
where: short stacking energy: -259.056
Base-Backbone interact. energy: -0.397
local terms energy: -279.159777
where:
bonds (distance) C4'-P energy: -50.893
bonds (distance) P-C4' energy: -50.988
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -40.510
tors. eta vs tors. theta energy: -77.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -824.553804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.553804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.553804 (E_RNA)
where:
Base-Base interactions energy: -562.634
where: short stacking energy: -238.087
Base-Backbone interact. energy: -0.184
local terms energy: -261.735665
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -59.545
flat angles C4'-P-C4' energy: -54.836
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -64.658
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: 427
Temperature: 1.100000
Total energy: -806.144093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.144093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.144093 (E_RNA)
where:
Base-Base interactions energy: -540.349
where: short stacking energy: -237.839
Base-Backbone interact. energy: -0.697
local terms energy: -265.098889
where:
bonds (distance) C4'-P energy: -44.581
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -61.331
flat angles P-C4'-P energy: -42.471
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: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -755.986320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.986320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.986320 (E_RNA)
where:
Base-Base interactions energy: -513.924
where: short stacking energy: -224.499
Base-Backbone interact. energy: -0.196
local terms energy: -241.866851
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -50.424
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -61.770
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -704.507395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.507395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.507395 (E_RNA)
where:
Base-Base interactions energy: -491.565
where: short stacking energy: -210.940
Base-Backbone interact. energy: 2.327
local terms energy: -215.270102
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -58.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -619.432668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.432668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.432668 (E_RNA)
where:
Base-Base interactions energy: -400.933
where: short stacking energy: -171.719
Base-Backbone interact. energy: -0.379
local terms energy: -218.120327
where:
bonds (distance) C4'-P energy: -39.115
bonds (distance) P-C4' energy: -49.262
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -46.635
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: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -381.066740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.066740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.066740 (E_RNA)
where:
Base-Base interactions energy: -232.076
where: short stacking energy: -130.409
Base-Backbone interact. energy: -1.052
local terms energy: -147.937931
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -41.944
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -240.095073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.095073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.095073 (E_RNA)
where:
Base-Base interactions energy: -95.362
where: short stacking energy: -67.952
Base-Backbone interact. energy: 0.760
local terms energy: -145.492707
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: 3.612
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: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -972.549712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.549712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.549712 (E_RNA)
where:
Base-Base interactions energy: -669.050
where: short stacking energy: -289.907
Base-Backbone interact. energy: 0.890
local terms energy: -304.389642
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -93.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -953.996921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.996921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.996921 (E_RNA)
where:
Base-Base interactions energy: -676.851
where: short stacking energy: -281.800
Base-Backbone interact. energy: 0.750
local terms energy: -277.895996
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -60.873
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -86.766
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: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -866.061310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.061310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.061310 (E_RNA)
where:
Base-Base interactions energy: -592.862
where: short stacking energy: -254.077
Base-Backbone interact. energy: -0.039
local terms energy: -273.159728
where:
bonds (distance) C4'-P energy: -43.653
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -58.179
flat angles P-C4'-P energy: -42.529
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: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -829.481533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.481533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.481533 (E_RNA)
where:
Base-Base interactions energy: -561.689
where: short stacking energy: -253.839
Base-Backbone interact. energy: -0.518
local terms energy: -267.275131
where:
bonds (distance) C4'-P energy: -49.004
bonds (distance) P-C4' energy: -48.128
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -70.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -799.392809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.392809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.392809 (E_RNA)
where:
Base-Base interactions energy: -536.965
where: short stacking energy: -232.453
Base-Backbone interact. energy: 0.189
local terms energy: -262.616361
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -54.383
flat angles P-C4'-P energy: -34.131
tors. eta vs tors. theta energy: -68.791
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: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -775.057445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.057445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.057445 (E_RNA)
where:
Base-Base interactions energy: -524.886
where: short stacking energy: -231.887
Base-Backbone interact. energy: -0.904
local terms energy: -249.266596
where:
bonds (distance) C4'-P energy: -50.834
bonds (distance) P-C4' energy: -46.324
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -32.700
tors. eta vs tors. theta energy: -61.084
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: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -725.929617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.929617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.929617 (E_RNA)
where:
Base-Base interactions energy: -485.128
where: short stacking energy: -205.419
Base-Backbone interact. energy: -0.414
local terms energy: -240.387675
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -52.119
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -49.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -608.248742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.248742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.248742 (E_RNA)
where:
Base-Base interactions energy: -402.861
where: short stacking energy: -180.384
Base-Backbone interact. energy: -0.113
local terms energy: -205.275056
where:
bonds (distance) C4'-P energy: -48.338
bonds (distance) P-C4' energy: -40.470
flat angles C4'-P-C4' energy: -45.021
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -51.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -357.461210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.461210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.461210 (E_RNA)
where:
Base-Base interactions energy: -175.701
where: short stacking energy: -98.809
Base-Backbone interact. energy: -2.909
local terms energy: -178.850487
where:
bonds (distance) C4'-P energy: -37.807
bonds (distance) P-C4' energy: -45.540
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -16.082
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: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -224.352003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.352003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.352003 (E_RNA)
where:
Base-Base interactions energy: -78.260
where: short stacking energy: -72.873
Base-Backbone interact. energy: -1.743
local terms energy: -144.349137
where:
bonds (distance) C4'-P energy: -44.220
bonds (distance) P-C4' energy: -56.441
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: 1.501
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: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -967.845160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.845160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.845160 (E_RNA)
where:
Base-Base interactions energy: -678.424
where: short stacking energy: -290.207
Base-Backbone interact. energy: -0.135
local terms energy: -289.285908
where:
bonds (distance) C4'-P energy: -46.194
bonds (distance) P-C4' energy: -47.413
flat angles C4'-P-C4' energy: -60.923
flat angles P-C4'-P energy: -43.872
tors. eta vs tors. theta energy: -90.884
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: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -960.563114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.563114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.563114 (E_RNA)
where:
Base-Base interactions energy: -667.607
where: short stacking energy: -272.110
Base-Backbone interact. energy: -0.466
local terms energy: -292.489176
where:
bonds (distance) C4'-P energy: -45.773
bonds (distance) P-C4' energy: -56.457
flat angles C4'-P-C4' energy: -57.739
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -85.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -845.509843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.509843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.509843 (E_RNA)
where:
Base-Base interactions energy: -571.423
where: short stacking energy: -249.935
Base-Backbone interact. energy: 0.624
local terms energy: -274.710488
where:
bonds (distance) C4'-P energy: -49.848
bonds (distance) P-C4' energy: -54.476
flat angles C4'-P-C4' energy: -68.288
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -68.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -837.944388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.944388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.944388 (E_RNA)
where:
Base-Base interactions energy: -573.448
where: short stacking energy: -271.852
Base-Backbone interact. energy: -0.741
local terms energy: -263.755660
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -48.359
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -40.365
tors. eta vs tors. theta energy: -68.359
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: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -823.784279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.784279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.784279 (E_RNA)
where:
Base-Base interactions energy: -563.616
where: short stacking energy: -231.693
Base-Backbone interact. energy: -0.951
local terms energy: -259.217347
where:
bonds (distance) C4'-P energy: -52.540
bonds (distance) P-C4' energy: -49.926
flat angles C4'-P-C4' energy: -53.010
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -68.357
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: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -794.482252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.482252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.482252 (E_RNA)
where:
Base-Base interactions energy: -554.162
where: short stacking energy: -229.764
Base-Backbone interact. energy: -0.225
local terms energy: -240.095310
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -28.780
tors. eta vs tors. theta energy: -69.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -730.196206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.196206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.196206 (E_RNA)
where:
Base-Base interactions energy: -490.868
where: short stacking energy: -209.216
Base-Backbone interact. energy: -0.723
local terms energy: -238.605155
where:
bonds (distance) C4'-P energy: -43.129
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -58.119
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: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -590.060001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.060001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.060001 (E_RNA)
where:
Base-Base interactions energy: -378.547
where: short stacking energy: -163.442
Base-Backbone interact. energy: -0.306
local terms energy: -211.207823
where:
bonds (distance) C4'-P energy: -43.602
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -32.874
tors. eta vs tors. theta energy: -44.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -355.598134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.598134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.598134 (E_RNA)
where:
Base-Base interactions energy: -204.404
where: short stacking energy: -103.221
Base-Backbone interact. energy: -1.866
local terms energy: -149.328479
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -13.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -220.405342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.405342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.405342 (E_RNA)
where:
Base-Base interactions energy: -71.822
where: short stacking energy: -69.316
Base-Backbone interact. energy: 0.545
local terms energy: -149.128137
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: 8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -965.559495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.559495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.559495 (E_RNA)
where:
Base-Base interactions energy: -673.802
where: short stacking energy: -290.557
Base-Backbone interact. energy: -1.416
local terms energy: -290.341019
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -50.022
flat angles C4'-P-C4' energy: -66.384
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -86.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -958.027407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.027407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.027407 (E_RNA)
where:
Base-Base interactions energy: -672.875
where: short stacking energy: -281.451
Base-Backbone interact. energy: -1.350
local terms energy: -283.802532
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -85.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -866.774281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.774281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.774281 (E_RNA)
where:
Base-Base interactions energy: -597.669
where: short stacking energy: -259.874
Base-Backbone interact. energy: -1.077
local terms energy: -268.027569
where:
bonds (distance) C4'-P energy: -44.786
bonds (distance) P-C4' energy: -54.927
flat angles C4'-P-C4' energy: -63.349
flat angles P-C4'-P energy: -29.506
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: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -802.000849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.000849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.000849 (E_RNA)
where:
Base-Base interactions energy: -541.609
where: short stacking energy: -244.903
Base-Backbone interact. energy: -0.864
local terms energy: -259.527859
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -55.280
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -39.178
tors. eta vs tors. theta energy: -72.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -797.742209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.742209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.742209 (E_RNA)
where:
Base-Base interactions energy: -551.425
where: short stacking energy: -242.968
Base-Backbone interact. energy: 2.543
local terms energy: -248.859822
where:
bonds (distance) C4'-P energy: -46.239
bonds (distance) P-C4' energy: -46.896
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -32.740
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: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -789.009842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.009842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.009842 (E_RNA)
where:
Base-Base interactions energy: -541.472
where: short stacking energy: -233.597
Base-Backbone interact. energy: -0.849
local terms energy: -246.689188
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -49.995
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -68.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -719.121498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.121498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.121498 (E_RNA)
where:
Base-Base interactions energy: -495.492
where: short stacking energy: -210.737
Base-Backbone interact. energy: -0.325
local terms energy: -223.304661
where:
bonds (distance) C4'-P energy: -40.730
bonds (distance) P-C4' energy: -46.545
flat angles C4'-P-C4' energy: -47.591
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: -46.792
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: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -604.276983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.276983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.276983 (E_RNA)
where:
Base-Base interactions energy: -395.999
where: short stacking energy: -167.476
Base-Backbone interact. energy: -0.421
local terms energy: -207.856492
where:
bonds (distance) C4'-P energy: -42.258
bonds (distance) P-C4' energy: -47.607
flat angles C4'-P-C4' energy: -48.285
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -36.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -366.337799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.337799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.337799 (E_RNA)
where:
Base-Base interactions energy: -203.388
where: short stacking energy: -111.309
Base-Backbone interact. energy: -2.350
local terms energy: -160.600414
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -47.582
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -272.319618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.319618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.319618 (E_RNA)
where:
Base-Base interactions energy: -124.577
where: short stacking energy: -74.088
Base-Backbone interact. energy: 3.606
local terms energy: -151.348650
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -46.476
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -8.226
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: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -957.490221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.490221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.490221 (E_RNA)
where:
Base-Base interactions energy: -667.820
where: short stacking energy: -280.492
Base-Backbone interact. energy: -1.903
local terms energy: -287.766983
where:
bonds (distance) C4'-P energy: -49.798
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -62.919
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -86.695
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: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -954.974514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.974514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.974514 (E_RNA)
where:
Base-Base interactions energy: -667.177
where: short stacking energy: -271.405
Base-Backbone interact. energy: 2.794
local terms energy: -290.590657
where:
bonds (distance) C4'-P energy: -51.437
bonds (distance) P-C4' energy: -54.077
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -82.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -855.685663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.685663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.685663 (E_RNA)
where:
Base-Base interactions energy: -587.093
where: short stacking energy: -252.037
Base-Backbone interact. energy: -0.146
local terms energy: -268.446859
where:
bonds (distance) C4'-P energy: -46.927
bonds (distance) P-C4' energy: -43.024
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -41.867
tors. eta vs tors. theta energy: -72.941
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: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -819.032296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.032296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.032296 (E_RNA)
where:
Base-Base interactions energy: -554.713
where: short stacking energy: -239.408
Base-Backbone interact. energy: -1.551
local terms energy: -262.767908
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -54.210
flat angles P-C4'-P energy: -39.018
tors. eta vs tors. theta energy: -70.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -802.464863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.464863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.464863 (E_RNA)
where:
Base-Base interactions energy: -556.227
where: short stacking energy: -247.484
Base-Backbone interact. energy: -0.278
local terms energy: -245.960371
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -33.750
tors. eta vs tors. theta energy: -68.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -784.350061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.350061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.350061 (E_RNA)
where:
Base-Base interactions energy: -537.617
where: short stacking energy: -221.808
Base-Backbone interact. energy: 0.985
local terms energy: -247.718408
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -51.912
flat angles C4'-P-C4' energy: -53.873
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: -56.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -703.593366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.593366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.593366 (E_RNA)
where:
Base-Base interactions energy: -491.349
where: short stacking energy: -218.012
Base-Backbone interact. energy: -2.401
local terms energy: -209.843720
where:
bonds (distance) C4'-P energy: -37.380
bonds (distance) P-C4' energy: -44.647
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -60.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -583.427007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.427007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.427007 (E_RNA)
where:
Base-Base interactions energy: -380.715
where: short stacking energy: -190.557
Base-Backbone interact. energy: -1.048
local terms energy: -201.664665
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -48.182
flat angles C4'-P-C4' energy: -46.227
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -41.332
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: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -373.607162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.607162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.607162 (E_RNA)
where:
Base-Base interactions energy: -218.056
where: short stacking energy: -123.498
Base-Backbone interact. energy: -1.386
local terms energy: -154.165937
where:
bonds (distance) C4'-P energy: -35.606
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -18.226
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: 431
Temperature: 1.350000
Total energy: -355.434938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.434938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.434938 (E_RNA)
where:
Base-Base interactions energy: -187.698
where: short stacking energy: -111.572
Base-Backbone interact. energy: -1.079
local terms energy: -166.657214
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -958.311996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.311996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.311996 (E_RNA)
where:
Base-Base interactions energy: -662.935
where: short stacking energy: -287.952
Base-Backbone interact. energy: -0.045
local terms energy: -295.332057
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -85.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -924.470291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.470291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.470291 (E_RNA)
where:
Base-Base interactions energy: -634.226
where: short stacking energy: -255.673
Base-Backbone interact. energy: 0.809
local terms energy: -291.053474
where:
bonds (distance) C4'-P energy: -48.723
bonds (distance) P-C4' energy: -55.146
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -76.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -884.202123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.202123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.202123 (E_RNA)
where:
Base-Base interactions energy: -599.876
where: short stacking energy: -264.583
Base-Backbone interact. energy: -0.707
local terms energy: -283.619122
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -50.657
flat angles C4'-P-C4' energy: -64.761
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: -76.803
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: 432
Temperature: 1.050000
Total energy: -831.667466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.667466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.667466 (E_RNA)
where:
Base-Base interactions energy: -562.103
where: short stacking energy: -242.620
Base-Backbone interact. energy: -0.927
local terms energy: -268.636605
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -59.725
flat angles C4'-P-C4' energy: -52.016
flat angles P-C4'-P energy: -38.076
tors. eta vs tors. theta energy: -68.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -815.768684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.768684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.768684 (E_RNA)
where:
Base-Base interactions energy: -549.948
where: short stacking energy: -248.270
Base-Backbone interact. energy: -0.574
local terms energy: -265.246737
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -49.155
flat angles C4'-P-C4' energy: -63.311
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -70.356
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: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -792.185343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.185343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.185343 (E_RNA)
where:
Base-Base interactions energy: -536.744
where: short stacking energy: -215.870
Base-Backbone interact. energy: -0.514
local terms energy: -254.926873
where:
bonds (distance) C4'-P energy: -45.111
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -63.422
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -59.151
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: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -674.229566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.229566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.229566 (E_RNA)
where:
Base-Base interactions energy: -446.363
where: short stacking energy: -192.466
Base-Backbone interact. energy: -0.255
local terms energy: -227.611456
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -43.981
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: -47.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -580.742375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.742375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.742375 (E_RNA)
where:
Base-Base interactions energy: -380.620
where: short stacking energy: -157.805
Base-Backbone interact. energy: -1.685
local terms energy: -198.437314
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -54.594
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -28.988
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: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -331.945990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.945990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.945990 (E_RNA)
where:
Base-Base interactions energy: -167.810
where: short stacking energy: -89.389
Base-Backbone interact. energy: -0.114
local terms energy: -164.022096
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -41.810
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -329.092103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.092103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.092103 (E_RNA)
where:
Base-Base interactions energy: -195.808
where: short stacking energy: -107.932
Base-Backbone interact. energy: -0.895
local terms energy: -132.388551
where:
bonds (distance) C4'-P energy: -38.945
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -43.201
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: 3.597
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: 433
Temperature: 0.900000
Total energy: -966.381308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.381308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.381308 (E_RNA)
where:
Base-Base interactions energy: -665.817
where: short stacking energy: -280.920
Base-Backbone interact. energy: -1.443
local terms energy: -299.121428
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -65.490
flat angles P-C4'-P energy: -48.279
tors. eta vs tors. theta energy: -86.358
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -960.122521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.122521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.122521 (E_RNA)
where:
Base-Base interactions energy: -669.186
where: short stacking energy: -287.350
Base-Backbone interact. energy: -0.763
local terms energy: -290.173170
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -56.964
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -86.944
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -844.768130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.768130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.768130 (E_RNA)
where:
Base-Base interactions energy: -566.854
where: short stacking energy: -243.599
Base-Backbone interact. energy: -0.757
local terms energy: -277.156495
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -74.967
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: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -845.220877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.220877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.220877 (E_RNA)
where:
Base-Base interactions energy: -584.087
where: short stacking energy: -263.846
Base-Backbone interact. energy: 0.412
local terms energy: -261.546282
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -38.182
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -67.375
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: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -807.757046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.757046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.757046 (E_RNA)
where:
Base-Base interactions energy: -549.222
where: short stacking energy: -228.727
Base-Backbone interact. energy: -1.044
local terms energy: -257.490208
where:
bonds (distance) C4'-P energy: -52.314
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -53.928
flat angles P-C4'-P energy: -40.313
tors. eta vs tors. theta energy: -63.366
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: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -765.421622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.421622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.421622 (E_RNA)
where:
Base-Base interactions energy: -532.037
where: short stacking energy: -221.396
Base-Backbone interact. energy: -0.667
local terms energy: -232.718254
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -42.876
tors. eta vs tors. theta energy: -56.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -683.528144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.528144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.528144 (E_RNA)
where:
Base-Base interactions energy: -463.914
where: short stacking energy: -194.029
Base-Backbone interact. energy: -0.408
local terms energy: -219.205772
where:
bonds (distance) C4'-P energy: -39.931
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -50.443
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: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -584.379609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.379609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.379609 (E_RNA)
where:
Base-Base interactions energy: -373.603
where: short stacking energy: -166.556
Base-Backbone interact. energy: -1.039
local terms energy: -209.736898
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -49.239
flat angles C4'-P-C4' energy: -48.139
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -314.642358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.642358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.642358 (E_RNA)
where:
Base-Base interactions energy: -178.644
where: short stacking energy: -90.405
Base-Backbone interact. energy: 0.438
local terms energy: -136.435579
where:
bonds (distance) C4'-P energy: -37.316
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: 0.644
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: 433
Temperature: 1.350000
Total energy: -309.168955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.168955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.168955 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -85.920
Base-Backbone interact. energy: 2.124
local terms energy: -164.348269
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -57.000
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: 2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -953.058669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.058669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.058669 (E_RNA)
where:
Base-Base interactions energy: -659.875
where: short stacking energy: -278.066
Base-Backbone interact. energy: -0.190
local terms energy: -292.994383
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -48.633
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -37.761
tors. eta vs tors. theta energy: -84.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -962.298302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.298302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.298302 (E_RNA)
where:
Base-Base interactions energy: -666.057
where: short stacking energy: -284.054
Base-Backbone interact. energy: -1.431
local terms energy: -294.810980
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -51.645
flat angles C4'-P-C4' energy: -54.462
flat angles P-C4'-P energy: -40.693
tors. eta vs tors. theta energy: -88.345
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: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -873.533146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.533146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.533146 (E_RNA)
where:
Base-Base interactions energy: -595.333
where: short stacking energy: -274.999
Base-Backbone interact. energy: -0.441
local terms energy: -277.758635
where:
bonds (distance) C4'-P energy: -50.424
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -60.157
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -81.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -834.581755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.581755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.581755 (E_RNA)
where:
Base-Base interactions energy: -564.593
where: short stacking energy: -245.485
Base-Backbone interact. energy: -0.260
local terms energy: -269.729182
where:
bonds (distance) C4'-P energy: -49.511
bonds (distance) P-C4' energy: -49.647
flat angles C4'-P-C4' energy: -62.425
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -72.408
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: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -810.921947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.921947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.921947 (E_RNA)
where:
Base-Base interactions energy: -560.699
where: short stacking energy: -257.485
Base-Backbone interact. energy: -0.496
local terms energy: -249.727229
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -43.957
flat angles P-C4'-P energy: -42.418
tors. eta vs tors. theta energy: -74.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -791.522828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.522828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.522828 (E_RNA)
where:
Base-Base interactions energy: -524.162
where: short stacking energy: -220.598
Base-Backbone interact. energy: 0.525
local terms energy: -267.886539
where:
bonds (distance) C4'-P energy: -49.629
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -61.961
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -62.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -693.717600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.717600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.717600 (E_RNA)
where:
Base-Base interactions energy: -482.694
where: short stacking energy: -207.531
Base-Backbone interact. energy: -1.850
local terms energy: -209.174193
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -54.009
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: 434
Temperature: 1.250000
Total energy: -572.927726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.927726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.927726 (E_RNA)
where:
Base-Base interactions energy: -365.194
where: short stacking energy: -168.912
Base-Backbone interact. energy: 1.206
local terms energy: -208.939323
where:
bonds (distance) C4'-P energy: -50.652
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -48.500
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: -33.286
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: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -353.233358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.233358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.233358 (E_RNA)
where:
Base-Base interactions energy: -182.044
where: short stacking energy: -84.871
Base-Backbone interact. energy: -1.060
local terms energy: -170.128677
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -55.015
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -36.458
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: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -312.173288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.173288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.173288 (E_RNA)
where:
Base-Base interactions energy: -144.318
where: short stacking energy: -93.245
Base-Backbone interact. energy: 0.395
local terms energy: -168.250815
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -41.634
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -4.037
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: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -966.439431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.439431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.439431 (E_RNA)
where:
Base-Base interactions energy: -660.157
where: short stacking energy: -277.491
Base-Backbone interact. energy: -2.087
local terms energy: -304.196113
where:
bonds (distance) C4'-P energy: -51.326
bonds (distance) P-C4' energy: -62.826
flat angles C4'-P-C4' energy: -64.028
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -80.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -930.908553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.908553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.908553 (E_RNA)
where:
Base-Base interactions energy: -646.332
where: short stacking energy: -274.141
Base-Backbone interact. energy: 0.756
local terms energy: -285.333116
where:
bonds (distance) C4'-P energy: -52.560
bonds (distance) P-C4' energy: -49.942
flat angles C4'-P-C4' energy: -59.847
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -79.521
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -859.699161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.699161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.699161 (E_RNA)
where:
Base-Base interactions energy: -594.528
where: short stacking energy: -279.663
Base-Backbone interact. energy: -0.531
local terms energy: -264.639877
where:
bonds (distance) C4'-P energy: -49.517
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -60.768
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -81.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -846.315350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.315350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.315350 (E_RNA)
where:
Base-Base interactions energy: -577.973
where: short stacking energy: -237.665
Base-Backbone interact. energy: 0.105
local terms energy: -268.447372
where:
bonds (distance) C4'-P energy: -43.000
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -58.196
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -68.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -828.945397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.945397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.945397 (E_RNA)
where:
Base-Base interactions energy: -563.790
where: short stacking energy: -247.743
Base-Backbone interact. energy: 0.185
local terms energy: -265.340416
where:
bonds (distance) C4'-P energy: -45.633
bonds (distance) P-C4' energy: -49.514
flat angles C4'-P-C4' energy: -55.970
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -75.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -781.202825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.202825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.202825 (E_RNA)
where:
Base-Base interactions energy: -526.808
where: short stacking energy: -224.998
Base-Backbone interact. energy: -1.159
local terms energy: -253.235595
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -60.792
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -52.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -700.071297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.071297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.071297 (E_RNA)
where:
Base-Base interactions energy: -474.333
where: short stacking energy: -215.740
Base-Backbone interact. energy: -1.167
local terms energy: -224.571898
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -51.778
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -54.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -567.469728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.469728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.469728 (E_RNA)
where:
Base-Base interactions energy: -361.776
where: short stacking energy: -167.008
Base-Backbone interact. energy: 0.475
local terms energy: -206.167873
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -47.239
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -39.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -320.606310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.606310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.606310 (E_RNA)
where:
Base-Base interactions energy: -158.661
where: short stacking energy: -88.752
Base-Backbone interact. energy: -0.800
local terms energy: -161.144874
where:
bonds (distance) C4'-P energy: -48.016
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -41.168
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: 10.741
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: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -321.319455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.319455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.319455 (E_RNA)
where:
Base-Base interactions energy: -156.801
where: short stacking energy: -95.052
Base-Backbone interact. energy: 1.072
local terms energy: -165.590644
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -44.985
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -961.743180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.743180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.743180 (E_RNA)
where:
Base-Base interactions energy: -665.979
where: short stacking energy: -275.329
Base-Backbone interact. energy: -0.236
local terms energy: -295.527877
where:
bonds (distance) C4'-P energy: -53.794
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -66.363
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -89.039
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: 436
Temperature: 0.950000
Total energy: -931.704275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.704275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.704275 (E_RNA)
where:
Base-Base interactions energy: -638.767
where: short stacking energy: -278.508
Base-Backbone interact. energy: -3.342
local terms energy: -289.594829
where:
bonds (distance) C4'-P energy: -51.951
bonds (distance) P-C4' energy: -48.972
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -87.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -870.226191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.226191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.226191 (E_RNA)
where:
Base-Base interactions energy: -594.243
where: short stacking energy: -259.286
Base-Backbone interact. energy: -0.497
local terms energy: -275.485736
where:
bonds (distance) C4'-P energy: -53.936
bonds (distance) P-C4' energy: -52.496
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -35.936
tors. eta vs tors. theta energy: -75.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -831.389248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.389248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.389248 (E_RNA)
where:
Base-Base interactions energy: -559.312
where: short stacking energy: -255.019
Base-Backbone interact. energy: 1.180
local terms energy: -273.257129
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -39.632
tors. eta vs tors. theta energy: -72.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -830.148860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.148860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.148860 (E_RNA)
where:
Base-Base interactions energy: -570.825
where: short stacking energy: -242.361
Base-Backbone interact. energy: 0.085
local terms energy: -259.408887
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -65.538
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -75.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -784.118262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.118262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.118262 (E_RNA)
where:
Base-Base interactions energy: -535.182
where: short stacking energy: -243.478
Base-Backbone interact. energy: 1.367
local terms energy: -250.303875
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -50.619
flat angles P-C4'-P energy: -37.819
tors. eta vs tors. theta energy: -62.746
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: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -733.385583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.385583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.385583 (E_RNA)
where:
Base-Base interactions energy: -485.858
where: short stacking energy: -202.172
Base-Backbone interact. energy: -0.392
local terms energy: -247.135112
where:
bonds (distance) C4'-P energy: -50.938
bonds (distance) P-C4' energy: -46.715
flat angles C4'-P-C4' energy: -57.883
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -56.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -547.826817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.826817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.826817 (E_RNA)
where:
Base-Base interactions energy: -367.882
where: short stacking energy: -153.219
Base-Backbone interact. energy: -2.141
local terms energy: -177.804140
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -29.996
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: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -367.083786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.083786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.083786 (E_RNA)
where:
Base-Base interactions energy: -205.850
where: short stacking energy: -124.279
Base-Backbone interact. energy: 2.417
local terms energy: -163.650913
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -39.824
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -18.557
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: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -328.616346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.616346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.616346 (E_RNA)
where:
Base-Base interactions energy: -177.309
where: short stacking energy: -99.207
Base-Backbone interact. energy: -0.770
local terms energy: -150.537859
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -43.167
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -970.018080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.018080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.018080 (E_RNA)
where:
Base-Base interactions energy: -671.320
where: short stacking energy: -290.490
Base-Backbone interact. energy: 1.419
local terms energy: -300.116920
where:
bonds (distance) C4'-P energy: -58.807
bonds (distance) P-C4' energy: -52.754
flat angles C4'-P-C4' energy: -61.437
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -87.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -941.449690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.449690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.449690 (E_RNA)
where:
Base-Base interactions energy: -657.927
where: short stacking energy: -272.394
Base-Backbone interact. energy: -1.251
local terms energy: -282.271100
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -51.380
flat angles C4'-P-C4' energy: -62.813
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -82.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -858.868743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.868743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.868743 (E_RNA)
where:
Base-Base interactions energy: -581.189
where: short stacking energy: -240.909
Base-Backbone interact. energy: 1.785
local terms energy: -279.464459
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -55.541
flat angles C4'-P-C4' energy: -58.893
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -74.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -872.982434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.982434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.982434 (E_RNA)
where:
Base-Base interactions energy: -595.313
where: short stacking energy: -256.652
Base-Backbone interact. energy: -0.565
local terms energy: -277.103742
where:
bonds (distance) C4'-P energy: -47.661
bonds (distance) P-C4' energy: -49.482
flat angles C4'-P-C4' energy: -61.569
flat angles P-C4'-P energy: -40.510
tors. eta vs tors. theta energy: -77.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -805.904071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.904071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.904071 (E_RNA)
where:
Base-Base interactions energy: -552.763
where: short stacking energy: -245.150
Base-Backbone interact. energy: -0.338
local terms energy: -252.803308
where:
bonds (distance) C4'-P energy: -57.191
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -38.863
tors. eta vs tors. theta energy: -61.096
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: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -769.943759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.943759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.943759 (E_RNA)
where:
Base-Base interactions energy: -517.079
where: short stacking energy: -221.909
Base-Backbone interact. energy: 0.823
local terms energy: -253.687683
where:
bonds (distance) C4'-P energy: -51.134
bonds (distance) P-C4' energy: -53.002
flat angles C4'-P-C4' energy: -52.231
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -59.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -729.812355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.812355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.812355 (E_RNA)
where:
Base-Base interactions energy: -513.239
where: short stacking energy: -224.091
Base-Backbone interact. energy: -1.328
local terms energy: -215.246009
where:
bonds (distance) C4'-P energy: -41.542
bonds (distance) P-C4' energy: -38.358
flat angles C4'-P-C4' energy: -45.767
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -50.779
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: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -591.096113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.096113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.096113 (E_RNA)
where:
Base-Base interactions energy: -388.086
where: short stacking energy: -190.729
Base-Backbone interact. energy: 0.013
local terms energy: -203.022971
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -44.277
flat angles C4'-P-C4' energy: -50.285
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -44.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -355.542852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.542852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.542852 (E_RNA)
where:
Base-Base interactions energy: -182.287
where: short stacking energy: -104.708
Base-Backbone interact. energy: -0.545
local terms energy: -172.710800
where:
bonds (distance) C4'-P energy: -46.671
bonds (distance) P-C4' energy: -60.679
flat angles C4'-P-C4' energy: -35.579
flat angles P-C4'-P energy: -24.098
tors. eta vs tors. theta energy: -5.684
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: 437
Temperature: 1.350000
Total energy: -330.019085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.019085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.019085 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -93.540
Base-Backbone interact. energy: -0.065
local terms energy: -175.258201
where:
bonds (distance) C4'-P energy: -42.339
bonds (distance) P-C4' energy: -45.691
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -962.538268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.538268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.538268 (E_RNA)
where:
Base-Base interactions energy: -674.705
where: short stacking energy: -299.605
Base-Backbone interact. energy: -1.784
local terms energy: -286.050045
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -85.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -962.418350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.418350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.418350 (E_RNA)
where:
Base-Base interactions energy: -674.901
where: short stacking energy: -290.063
Base-Backbone interact. energy: -1.319
local terms energy: -286.198112
where:
bonds (distance) C4'-P energy: -46.008
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -35.948
tors. eta vs tors. theta energy: -92.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -842.265369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.265369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.265369 (E_RNA)
where:
Base-Base interactions energy: -585.755
where: short stacking energy: -253.924
Base-Backbone interact. energy: -1.510
local terms energy: -255.000662
where:
bonds (distance) C4'-P energy: -45.902
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -55.346
flat angles P-C4'-P energy: -33.135
tors. eta vs tors. theta energy: -72.015
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: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -823.686289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.686289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.686289 (E_RNA)
where:
Base-Base interactions energy: -573.695
where: short stacking energy: -238.553
Base-Backbone interact. energy: -0.391
local terms energy: -249.600496
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -42.260
flat angles C4'-P-C4' energy: -54.698
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: -71.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -784.130099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.130099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.130099 (E_RNA)
where:
Base-Base interactions energy: -538.119
where: short stacking energy: -230.678
Base-Backbone interact. energy: -0.912
local terms energy: -245.098780
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -32.108
tors. eta vs tors. theta energy: -60.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -771.499312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.499312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.499312 (E_RNA)
where:
Base-Base interactions energy: -517.873
where: short stacking energy: -223.357
Base-Backbone interact. energy: -2.362
local terms energy: -251.265084
where:
bonds (distance) C4'-P energy: -52.942
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -49.531
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -64.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -731.043562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.043562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.043562 (E_RNA)
where:
Base-Base interactions energy: -489.916
where: short stacking energy: -213.306
Base-Backbone interact. energy: -2.111
local terms energy: -239.016781
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -59.227
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: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -581.659087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.659087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.659087 (E_RNA)
where:
Base-Base interactions energy: -384.075
where: short stacking energy: -170.933
Base-Backbone interact. energy: 3.136
local terms energy: -200.720111
where:
bonds (distance) C4'-P energy: -49.653
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -47.658
flat angles P-C4'-P energy: -31.714
tors. eta vs tors. theta energy: -35.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -332.529618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.529618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.529618 (E_RNA)
where:
Base-Base interactions energy: -170.812
where: short stacking energy: -99.269
Base-Backbone interact. energy: -0.882
local terms energy: -160.835946
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -54.703
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: 3.216
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: 438
Temperature: 1.350000
Total energy: -329.696928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.696928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.696928 (E_RNA)
where:
Base-Base interactions energy: -166.043
where: short stacking energy: -93.378
Base-Backbone interact. energy: 2.873
local terms energy: -166.527296
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -38.242
flat angles P-C4'-P energy: -33.831
tors. eta vs tors. theta energy: -7.175
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: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -956.414774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.414774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.414774 (E_RNA)
where:
Base-Base interactions energy: -666.228
where: short stacking energy: -286.342
Base-Backbone interact. energy: -1.459
local terms energy: -288.728018
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -60.487
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -88.608
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: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -943.880839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.880839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.880839 (E_RNA)
where:
Base-Base interactions energy: -654.503
where: short stacking energy: -272.089
Base-Backbone interact. energy: -1.858
local terms energy: -287.520092
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -53.051
flat angles C4'-P-C4' energy: -58.906
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -85.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -860.392711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.392711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.392711 (E_RNA)
where:
Base-Base interactions energy: -584.213
where: short stacking energy: -258.089
Base-Backbone interact. energy: 1.459
local terms energy: -277.638490
where:
bonds (distance) C4'-P energy: -43.279
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -58.270
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -81.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -869.178511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.178511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.178511 (E_RNA)
where:
Base-Base interactions energy: -605.143
where: short stacking energy: -272.509
Base-Backbone interact. energy: -0.376
local terms energy: -263.659631
where:
bonds (distance) C4'-P energy: -52.800
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -53.153
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -78.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -790.425890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.425890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.425890 (E_RNA)
where:
Base-Base interactions energy: -526.246
where: short stacking energy: -226.272
Base-Backbone interact. energy: -0.099
local terms energy: -264.080323
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -59.801
flat angles C4'-P-C4' energy: -57.957
flat angles P-C4'-P energy: -38.553
tors. eta vs tors. theta energy: -58.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -797.620785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.620785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.620785 (E_RNA)
where:
Base-Base interactions energy: -556.865
where: short stacking energy: -231.794
Base-Backbone interact. energy: -1.254
local terms energy: -239.502006
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -57.667
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -65.521
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: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -754.969229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.969229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.969229 (E_RNA)
where:
Base-Base interactions energy: -535.836
where: short stacking energy: -231.911
Base-Backbone interact. energy: -1.466
local terms energy: -217.667453
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -46.065
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -62.478
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: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -582.558586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.558586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.558586 (E_RNA)
where:
Base-Base interactions energy: -401.668
where: short stacking energy: -170.885
Base-Backbone interact. energy: -0.622
local terms energy: -180.268789
where:
bonds (distance) C4'-P energy: -44.942
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -37.372
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: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -345.555879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.555879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.555879 (E_RNA)
where:
Base-Base interactions energy: -188.088
where: short stacking energy: -100.682
Base-Backbone interact. energy: -0.437
local terms energy: -157.031446
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -44.452
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -297.455683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.455683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.455683 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -77.488
Base-Backbone interact. energy: -1.641
local terms energy: -148.461542
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -41.354
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -18.344
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: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -966.581797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.581797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.581797 (E_RNA)
where:
Base-Base interactions energy: -674.618
where: short stacking energy: -281.524
Base-Backbone interact. energy: -0.871
local terms energy: -291.092819
where:
bonds (distance) C4'-P energy: -43.312
bonds (distance) P-C4' energy: -58.549
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -86.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -939.945050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.945050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.945050 (E_RNA)
where:
Base-Base interactions energy: -665.433
where: short stacking energy: -284.710
Base-Backbone interact. energy: 0.047
local terms energy: -274.558918
where:
bonds (distance) C4'-P energy: -45.616
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -61.402
flat angles P-C4'-P energy: -42.921
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: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -895.825806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.825806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.825806 (E_RNA)
where:
Base-Base interactions energy: -610.476
where: short stacking energy: -280.401
Base-Backbone interact. energy: -0.263
local terms energy: -285.086788
where:
bonds (distance) C4'-P energy: -47.614
bonds (distance) P-C4' energy: -53.437
flat angles C4'-P-C4' energy: -60.346
flat angles P-C4'-P energy: -39.442
tors. eta vs tors. theta energy: -84.248
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: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -838.545674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.545674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.545674 (E_RNA)
where:
Base-Base interactions energy: -565.655
where: short stacking energy: -252.765
Base-Backbone interact. energy: -1.287
local terms energy: -271.603686
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -63.400
flat angles P-C4'-P energy: -32.867
tors. eta vs tors. theta energy: -75.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -795.323606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.323606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.323606 (E_RNA)
where:
Base-Base interactions energy: -544.547
where: short stacking energy: -231.596
Base-Backbone interact. energy: 0.855
local terms energy: -251.632359
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: -67.682
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -777.813576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.813576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.813576 (E_RNA)
where:
Base-Base interactions energy: -519.332
where: short stacking energy: -226.370
Base-Backbone interact. energy: -1.204
local terms energy: -257.278082
where:
bonds (distance) C4'-P energy: -54.430
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -51.932
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -55.991
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: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -728.972700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.972700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.972700 (E_RNA)
where:
Base-Base interactions energy: -490.107
where: short stacking energy: -195.707
Base-Backbone interact. energy: 0.089
local terms energy: -238.955118
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -56.383
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -50.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -542.975440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.975440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.975440 (E_RNA)
where:
Base-Base interactions energy: -351.733
where: short stacking energy: -154.410
Base-Backbone interact. energy: -1.543
local terms energy: -189.700208
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -362.680379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.680379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.680379 (E_RNA)
where:
Base-Base interactions energy: -187.652
where: short stacking energy: -99.839
Base-Backbone interact. energy: -0.954
local terms energy: -174.074758
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -47.691
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -284.796683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.796683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.796683 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -87.317
Base-Backbone interact. energy: 1.349
local terms energy: -139.647881
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: 0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -960.367161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.367161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.367161 (E_RNA)
where:
Base-Base interactions energy: -672.811
where: short stacking energy: -293.757
Base-Backbone interact. energy: -0.247
local terms energy: -287.309328
where:
bonds (distance) C4'-P energy: -55.860
bonds (distance) P-C4' energy: -46.302
flat angles C4'-P-C4' energy: -59.219
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -87.391
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: 441
Temperature: 0.950000
Total energy: -942.083917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.083917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.083917 (E_RNA)
where:
Base-Base interactions energy: -655.181
where: short stacking energy: -277.438
Base-Backbone interact. energy: 0.250
local terms energy: -287.152810
where:
bonds (distance) C4'-P energy: -52.289
bonds (distance) P-C4' energy: -47.736
flat angles C4'-P-C4' energy: -60.885
flat angles P-C4'-P energy: -42.340
tors. eta vs tors. theta energy: -83.903
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: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -891.847828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.847828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.847828 (E_RNA)
where:
Base-Base interactions energy: -612.538
where: short stacking energy: -261.708
Base-Backbone interact. energy: -0.922
local terms energy: -278.387349
where:
bonds (distance) C4'-P energy: -49.566
bonds (distance) P-C4' energy: -54.930
flat angles C4'-P-C4' energy: -55.171
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -77.227
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: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -811.060539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.060539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.060539 (E_RNA)
where:
Base-Base interactions energy: -536.646
where: short stacking energy: -230.484
Base-Backbone interact. energy: -0.368
local terms energy: -274.046426
where:
bonds (distance) C4'-P energy: -54.561
bonds (distance) P-C4' energy: -56.842
flat angles C4'-P-C4' energy: -52.606
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -68.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -789.660023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.660023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.660023 (E_RNA)
where:
Base-Base interactions energy: -543.730
where: short stacking energy: -224.223
Base-Backbone interact. energy: -0.447
local terms energy: -245.482992
where:
bonds (distance) C4'-P energy: -43.033
bonds (distance) P-C4' energy: -47.369
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: -62.345
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: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -765.178172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.178172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.178172 (E_RNA)
where:
Base-Base interactions energy: -515.570
where: short stacking energy: -216.710
Base-Backbone interact. energy: 0.385
local terms energy: -249.993846
where:
bonds (distance) C4'-P energy: -58.020
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -49.521
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -60.262
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: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -721.266703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.266703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.266703 (E_RNA)
where:
Base-Base interactions energy: -472.966
where: short stacking energy: -209.177
Base-Backbone interact. energy: 2.103
local terms energy: -250.403174
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -52.784
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: -58.027
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: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -565.352858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.352858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.352858 (E_RNA)
where:
Base-Base interactions energy: -359.120
where: short stacking energy: -160.357
Base-Backbone interact. energy: -0.692
local terms energy: -205.540384
where:
bonds (distance) C4'-P energy: -51.022
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -47.645
flat angles P-C4'-P energy: -28.599
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: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -360.252784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.252784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.252784 (E_RNA)
where:
Base-Base interactions energy: -170.746
where: short stacking energy: -85.479
Base-Backbone interact. energy: -0.395
local terms energy: -189.111303
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -57.756
flat angles C4'-P-C4' energy: -43.177
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -309.713934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.713934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.713934 (E_RNA)
where:
Base-Base interactions energy: -151.460
where: short stacking energy: -82.727
Base-Backbone interact. energy: 0.012
local terms energy: -158.266201
where:
bonds (distance) C4'-P energy: -41.868
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -947.333137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.333137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.333137 (E_RNA)
where:
Base-Base interactions energy: -658.401
where: short stacking energy: -280.497
Base-Backbone interact. energy: 1.415
local terms energy: -290.347418
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -49.820
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -85.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -935.432750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.432750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.432750 (E_RNA)
where:
Base-Base interactions energy: -643.996
where: short stacking energy: -262.083
Base-Backbone interact. energy: -2.258
local terms energy: -289.178869
where:
bonds (distance) C4'-P energy: -46.018
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -82.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -858.621008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.621008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.621008 (E_RNA)
where:
Base-Base interactions energy: -576.164
where: short stacking energy: -257.748
Base-Backbone interact. energy: 0.635
local terms energy: -283.092352
where:
bonds (distance) C4'-P energy: -55.314
bonds (distance) P-C4' energy: -53.396
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -73.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -879.737083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.737083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.737083 (E_RNA)
where:
Base-Base interactions energy: -611.862
where: short stacking energy: -255.425
Base-Backbone interact. energy: 1.324
local terms energy: -269.198419
where:
bonds (distance) C4'-P energy: -44.800
bonds (distance) P-C4' energy: -50.454
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -75.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -782.488874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.488874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.488874 (E_RNA)
where:
Base-Base interactions energy: -547.816
where: short stacking energy: -233.047
Base-Backbone interact. energy: 0.161
local terms energy: -234.834075
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -42.832
flat angles C4'-P-C4' energy: -51.155
flat angles P-C4'-P energy: -37.681
tors. eta vs tors. theta energy: -56.283
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: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -756.519976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.519976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.519976 (E_RNA)
where:
Base-Base interactions energy: -518.100
where: short stacking energy: -216.341
Base-Backbone interact. energy: -0.794
local terms energy: -237.626299
where:
bonds (distance) C4'-P energy: -53.838
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -54.816
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -50.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -729.984707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.984707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.984707 (E_RNA)
where:
Base-Base interactions energy: -502.458
where: short stacking energy: -222.366
Base-Backbone interact. energy: -0.664
local terms energy: -226.862976
where:
bonds (distance) C4'-P energy: -44.004
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -57.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -598.170070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.170070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.170070 (E_RNA)
where:
Base-Base interactions energy: -387.361
where: short stacking energy: -167.286
Base-Backbone interact. energy: -0.830
local terms energy: -209.978759
where:
bonds (distance) C4'-P energy: -39.487
bonds (distance) P-C4' energy: -46.189
flat angles C4'-P-C4' energy: -48.637
flat angles P-C4'-P energy: -40.336
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: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -363.985756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.985756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.985756 (E_RNA)
where:
Base-Base interactions energy: -182.015
where: short stacking energy: -97.910
Base-Backbone interact. energy: -0.576
local terms energy: -181.394970
where:
bonds (distance) C4'-P energy: -50.530
bonds (distance) P-C4' energy: -50.067
flat angles C4'-P-C4' energy: -46.258
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -9.982
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: 442
Temperature: 1.350000
Total energy: -234.571796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.571796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.571796 (E_RNA)
where:
Base-Base interactions energy: -79.994
where: short stacking energy: -64.301
Base-Backbone interact. energy: -1.106
local terms energy: -153.472455
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -38.999
flat angles C4'-P-C4' energy: -45.807
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -959.035329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.035329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.035329 (E_RNA)
where:
Base-Base interactions energy: -654.122
where: short stacking energy: -280.463
Base-Backbone interact. energy: -0.238
local terms energy: -304.675093
where:
bonds (distance) C4'-P energy: -51.649
bonds (distance) P-C4' energy: -57.563
flat angles C4'-P-C4' energy: -63.210
flat angles P-C4'-P energy: -40.880
tors. eta vs tors. theta energy: -91.373
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: 443
Temperature: 0.950000
Total energy: -933.101717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.101717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.101717 (E_RNA)
where:
Base-Base interactions energy: -645.671
where: short stacking energy: -276.655
Base-Backbone interact. energy: -0.728
local terms energy: -286.702482
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -46.424
flat angles C4'-P-C4' energy: -60.594
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -82.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -854.184558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.184558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.184558 (E_RNA)
where:
Base-Base interactions energy: -572.721
where: short stacking energy: -252.978
Base-Backbone interact. energy: -0.333
local terms energy: -281.130686
where:
bonds (distance) C4'-P energy: -55.420
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -60.815
flat angles P-C4'-P energy: -44.681
tors. eta vs tors. theta energy: -66.776
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: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -846.406124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.406124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.406124 (E_RNA)
where:
Base-Base interactions energy: -592.861
where: short stacking energy: -246.940
Base-Backbone interact. energy: -1.303
local terms energy: -252.241932
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -53.232
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -71.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -789.865580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.865580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.865580 (E_RNA)
where:
Base-Base interactions energy: -553.563
where: short stacking energy: -241.878
Base-Backbone interact. energy: 0.440
local terms energy: -236.742200
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -52.992
flat angles P-C4'-P energy: -32.665
tors. eta vs tors. theta energy: -55.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -778.045965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.045965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.045965 (E_RNA)
where:
Base-Base interactions energy: -521.168
where: short stacking energy: -211.416
Base-Backbone interact. energy: -0.020
local terms energy: -256.858033
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -42.932
tors. eta vs tors. theta energy: -63.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -777.264445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.264445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.264445 (E_RNA)
where:
Base-Base interactions energy: -542.390
where: short stacking energy: -235.426
Base-Backbone interact. energy: 0.390
local terms energy: -235.264084
where:
bonds (distance) C4'-P energy: -43.773
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -36.351
tors. eta vs tors. theta energy: -62.599
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: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -555.916137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.916137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.916137 (E_RNA)
where:
Base-Base interactions energy: -340.450
where: short stacking energy: -159.965
Base-Backbone interact. energy: -0.034
local terms energy: -215.431928
where:
bonds (distance) C4'-P energy: -53.431
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -46.191
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -39.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -350.516507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.516507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.516507 (E_RNA)
where:
Base-Base interactions energy: -181.509
where: short stacking energy: -114.112
Base-Backbone interact. energy: 0.690
local terms energy: -169.696599
where:
bonds (distance) C4'-P energy: -41.832
bonds (distance) P-C4' energy: -49.537
flat angles C4'-P-C4' energy: -50.521
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -217.318585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.318585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.318585 (E_RNA)
where:
Base-Base interactions energy: -75.062
where: short stacking energy: -69.459
Base-Backbone interact. energy: -1.730
local terms energy: -140.526513
where:
bonds (distance) C4'-P energy: -44.591
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -26.460
tors. eta vs tors. theta energy: 5.789
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: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -954.087012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.087012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.087012 (E_RNA)
where:
Base-Base interactions energy: -662.114
where: short stacking energy: -269.801
Base-Backbone interact. energy: -0.819
local terms energy: -291.154363
where:
bonds (distance) C4'-P energy: -53.926
bonds (distance) P-C4' energy: -57.293
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -85.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -938.056431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.056431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.056431 (E_RNA)
where:
Base-Base interactions energy: -656.212
where: short stacking energy: -283.499
Base-Backbone interact. energy: -0.835
local terms energy: -281.009029
where:
bonds (distance) C4'-P energy: -41.404
bonds (distance) P-C4' energy: -56.998
flat angles C4'-P-C4' energy: -58.107
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: -86.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -867.742822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.742822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.742822 (E_RNA)
where:
Base-Base interactions energy: -592.404
where: short stacking energy: -252.747
Base-Backbone interact. energy: 0.687
local terms energy: -276.026187
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -61.897
flat angles P-C4'-P energy: -41.486
tors. eta vs tors. theta energy: -77.575
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: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -811.578276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.578276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.578276 (E_RNA)
where:
Base-Base interactions energy: -533.719
where: short stacking energy: -242.193
Base-Backbone interact. energy: -0.778
local terms energy: -277.081298
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -57.963
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -69.342
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: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -815.539664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.539664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.539664 (E_RNA)
where:
Base-Base interactions energy: -565.877
where: short stacking energy: -243.893
Base-Backbone interact. energy: -1.946
local terms energy: -247.717613
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -42.170
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: -61.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -765.628722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.628722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.628722 (E_RNA)
where:
Base-Base interactions energy: -531.653
where: short stacking energy: -209.563
Base-Backbone interact. energy: -1.321
local terms energy: -232.653947
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -46.451
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -37.305
tors. eta vs tors. theta energy: -55.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -761.891541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.891541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.891541 (E_RNA)
where:
Base-Base interactions energy: -527.606
where: short stacking energy: -227.414
Base-Backbone interact. energy: 1.958
local terms energy: -236.243376
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -48.097
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -34.900
tors. eta vs tors. theta energy: -55.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -576.020732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.020732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.020732 (E_RNA)
where:
Base-Base interactions energy: -376.886
where: short stacking energy: -152.738
Base-Backbone interact. energy: -1.882
local terms energy: -197.252434
where:
bonds (distance) C4'-P energy: -43.342
bonds (distance) P-C4' energy: -44.435
flat angles C4'-P-C4' energy: -48.783
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -40.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -362.916212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.916212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.916212 (E_RNA)
where:
Base-Base interactions energy: -184.054
where: short stacking energy: -104.059
Base-Backbone interact. energy: -0.805
local terms energy: -178.056650
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -45.740
flat angles C4'-P-C4' energy: -43.065
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -230.346588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.346588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.346588 (E_RNA)
where:
Base-Base interactions energy: -72.117
where: short stacking energy: -64.128
Base-Backbone interact. energy: -2.172
local terms energy: -156.057321
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -57.754
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: 10.760
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: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -955.471189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.471189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.471189 (E_RNA)
where:
Base-Base interactions energy: -662.354
where: short stacking energy: -283.005
Base-Backbone interact. energy: 1.364
local terms energy: -294.480856
where:
bonds (distance) C4'-P energy: -58.212
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -88.008
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: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -940.533934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.533934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.533934 (E_RNA)
where:
Base-Base interactions energy: -642.534
where: short stacking energy: -276.681
Base-Backbone interact. energy: -1.006
local terms energy: -296.993856
where:
bonds (distance) C4'-P energy: -53.502
bonds (distance) P-C4' energy: -51.052
flat angles C4'-P-C4' energy: -61.021
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -88.601
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: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -879.234403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.234403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.234403 (E_RNA)
where:
Base-Base interactions energy: -598.624
where: short stacking energy: -247.226
Base-Backbone interact. energy: -0.784
local terms energy: -279.826091
where:
bonds (distance) C4'-P energy: -50.234
bonds (distance) P-C4' energy: -56.742
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -74.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -838.564316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.564316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.564316 (E_RNA)
where:
Base-Base interactions energy: -571.082
where: short stacking energy: -246.434
Base-Backbone interact. energy: -0.889
local terms energy: -266.593668
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -45.976
flat angles C4'-P-C4' energy: -56.879
flat angles P-C4'-P energy: -40.932
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -808.824261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.824261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.824261 (E_RNA)
where:
Base-Base interactions energy: -564.087
where: short stacking energy: -237.070
Base-Backbone interact. energy: -0.864
local terms energy: -243.873375
where:
bonds (distance) C4'-P energy: -50.798
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -54.020
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -60.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -754.771340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.771340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.771340 (E_RNA)
where:
Base-Base interactions energy: -518.372
where: short stacking energy: -217.506
Base-Backbone interact. energy: -3.010
local terms energy: -233.390021
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -43.362
flat angles C4'-P-C4' energy: -49.864
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -60.791
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -753.232379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.232379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.232379 (E_RNA)
where:
Base-Base interactions energy: -540.235
where: short stacking energy: -203.154
Base-Backbone interact. energy: -2.712
local terms energy: -210.285461
where:
bonds (distance) C4'-P energy: -34.080
bonds (distance) P-C4' energy: -43.323
flat angles C4'-P-C4' energy: -45.162
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -60.078
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: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -543.339259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.339259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.339259 (E_RNA)
where:
Base-Base interactions energy: -350.209
where: short stacking energy: -153.033
Base-Backbone interact. energy: 0.485
local terms energy: -193.615677
where:
bonds (distance) C4'-P energy: -42.628
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -47.338
flat angles P-C4'-P energy: -41.563
tors. eta vs tors. theta energy: -30.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -354.458704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.458704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.458704 (E_RNA)
where:
Base-Base interactions energy: -169.811
where: short stacking energy: -100.688
Base-Backbone interact. energy: -1.201
local terms energy: -183.447168
where:
bonds (distance) C4'-P energy: -48.902
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -50.395
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -11.301
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: 445
Temperature: 1.350000
Total energy: -233.898382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.898382 (E_RNA)
where:
Base-Base interactions energy: -88.811
where: short stacking energy: -60.583
Base-Backbone interact. energy: -1.197
local terms energy: -143.890407
where:
bonds (distance) C4'-P energy: -38.858
bonds (distance) P-C4' energy: -45.983
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -5.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -960.554465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.554465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.554465 (E_RNA)
where:
Base-Base interactions energy: -675.426
where: short stacking energy: -283.136
Base-Backbone interact. energy: -0.867
local terms energy: -284.261782
where:
bonds (distance) C4'-P energy: -50.212
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -57.473
flat angles P-C4'-P energy: -39.869
tors. eta vs tors. theta energy: -82.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -953.132960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.132960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.132960 (E_RNA)
where:
Base-Base interactions energy: -665.520
where: short stacking energy: -282.486
Base-Backbone interact. energy: -0.802
local terms energy: -286.811051
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -60.354
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -82.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -852.135206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.135206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.135206 (E_RNA)
where:
Base-Base interactions energy: -581.756
where: short stacking energy: -241.530
Base-Backbone interact. energy: -2.084
local terms energy: -268.295302
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -61.543
flat angles P-C4'-P energy: -37.027
tors. eta vs tors. theta energy: -72.603
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: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -822.971825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.971825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.971825 (E_RNA)
where:
Base-Base interactions energy: -569.266
where: short stacking energy: -247.697
Base-Backbone interact. energy: -0.602
local terms energy: -253.104094
where:
bonds (distance) C4'-P energy: -45.396
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -54.575
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -65.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -807.889715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.889715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.889715 (E_RNA)
where:
Base-Base interactions energy: -547.585
where: short stacking energy: -233.870
Base-Backbone interact. energy: -1.426
local terms energy: -258.878516
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -47.605
flat angles C4'-P-C4' energy: -57.558
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -66.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -780.695719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.695719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.695719 (E_RNA)
where:
Base-Base interactions energy: -523.527
where: short stacking energy: -237.348
Base-Backbone interact. energy: -0.683
local terms energy: -256.485488
where:
bonds (distance) C4'-P energy: -55.013
bonds (distance) P-C4' energy: -53.345
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -57.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -741.506547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.506547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.506547 (E_RNA)
where:
Base-Base interactions energy: -513.277
where: short stacking energy: -205.617
Base-Backbone interact. energy: -1.591
local terms energy: -226.638100
where:
bonds (distance) C4'-P energy: -42.986
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -29.516
tors. eta vs tors. theta energy: -55.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -565.845021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.845021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.845021 (E_RNA)
where:
Base-Base interactions energy: -373.028
where: short stacking energy: -178.211
Base-Backbone interact. energy: 2.000
local terms energy: -194.816759
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -50.272
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -41.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -346.826896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.826896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.826896 (E_RNA)
where:
Base-Base interactions energy: -182.052
where: short stacking energy: -105.127
Base-Backbone interact. energy: 1.656
local terms energy: -166.431132
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -246.491411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.491411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.491411 (E_RNA)
where:
Base-Base interactions energy: -89.246
where: short stacking energy: -83.804
Base-Backbone interact. energy: -1.063
local terms energy: -156.182474
where:
bonds (distance) C4'-P energy: -46.769
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -45.061
flat angles P-C4'-P energy: -24.135
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: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -956.430758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.430758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.430758 (E_RNA)
where:
Base-Base interactions energy: -670.599
where: short stacking energy: -277.720
Base-Backbone interact. energy: 0.950
local terms energy: -286.781590
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -58.247
flat angles C4'-P-C4' energy: -59.625
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -82.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -938.743809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.743809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.743809 (E_RNA)
where:
Base-Base interactions energy: -654.447
where: short stacking energy: -271.147
Base-Backbone interact. energy: 2.858
local terms energy: -287.154666
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -59.367
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: -82.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -866.188577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.188577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.188577 (E_RNA)
where:
Base-Base interactions energy: -586.236
where: short stacking energy: -252.720
Base-Backbone interact. energy: -0.431
local terms energy: -279.522270
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -53.489
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -78.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -846.397218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.397218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.397218 (E_RNA)
where:
Base-Base interactions energy: -598.335
where: short stacking energy: -249.876
Base-Backbone interact. energy: -0.510
local terms energy: -247.551630
where:
bonds (distance) C4'-P energy: -42.717
bonds (distance) P-C4' energy: -51.231
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -33.883
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: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -790.604406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.604406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.604406 (E_RNA)
where:
Base-Base interactions energy: -543.108
where: short stacking energy: -236.551
Base-Backbone interact. energy: -0.524
local terms energy: -246.972384
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -58.274
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -65.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -780.466327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.466327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.466327 (E_RNA)
where:
Base-Base interactions energy: -537.499
where: short stacking energy: -228.278
Base-Backbone interact. energy: -0.907
local terms energy: -242.060182
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -68.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -763.553742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.553742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.553742 (E_RNA)
where:
Base-Base interactions energy: -514.686
where: short stacking energy: -207.550
Base-Backbone interact. energy: -0.330
local terms energy: -248.538324
where:
bonds (distance) C4'-P energy: -49.771
bonds (distance) P-C4' energy: -51.890
flat angles C4'-P-C4' energy: -48.898
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -58.448
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: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -620.861848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.861848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.861848 (E_RNA)
where:
Base-Base interactions energy: -420.928
where: short stacking energy: -179.283
Base-Backbone interact. energy: 0.915
local terms energy: -200.849335
where:
bonds (distance) C4'-P energy: -38.951
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -49.579
flat angles P-C4'-P energy: -35.968
tors. eta vs tors. theta energy: -40.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -360.178400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.178400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.178400 (E_RNA)
where:
Base-Base interactions energy: -176.405
where: short stacking energy: -100.459
Base-Backbone interact. energy: -0.361
local terms energy: -183.412530
where:
bonds (distance) C4'-P energy: -53.440
bonds (distance) P-C4' energy: -39.252
flat angles C4'-P-C4' energy: -50.542
flat angles P-C4'-P energy: -30.503
tors. eta vs tors. theta energy: -9.677
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: 447
Temperature: 1.350000
Total energy: -217.898198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.898198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.898198 (E_RNA)
where:
Base-Base interactions energy: -61.837
where: short stacking energy: -54.939
Base-Backbone interact. energy: -1.879
local terms energy: -154.182858
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -38.482
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: 6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -972.619860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.619860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.619860 (E_RNA)
where:
Base-Base interactions energy: -667.107
where: short stacking energy: -283.119
Base-Backbone interact. energy: -1.079
local terms energy: -304.434180
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -45.999
tors. eta vs tors. theta energy: -92.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -949.818239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.818239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.818239 (E_RNA)
where:
Base-Base interactions energy: -654.174
where: short stacking energy: -283.994
Base-Backbone interact. energy: 0.460
local terms energy: -296.104043
where:
bonds (distance) C4'-P energy: -55.400
bonds (distance) P-C4' energy: -60.593
flat angles C4'-P-C4' energy: -59.007
flat angles P-C4'-P energy: -34.663
tors. eta vs tors. theta energy: -86.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -856.917730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.917730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.917730 (E_RNA)
where:
Base-Base interactions energy: -573.105
where: short stacking energy: -255.272
Base-Backbone interact. energy: 1.601
local terms energy: -285.414330
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -59.368
flat angles P-C4'-P energy: -49.616
tors. eta vs tors. theta energy: -74.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -807.332991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.332991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.332991 (E_RNA)
where:
Base-Base interactions energy: -542.228
where: short stacking energy: -227.337
Base-Backbone interact. energy: -0.934
local terms energy: -264.171291
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -65.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -817.310317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.310317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.310317 (E_RNA)
where:
Base-Base interactions energy: -570.385
where: short stacking energy: -235.720
Base-Backbone interact. energy: -3.213
local terms energy: -243.712283
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -27.081
tors. eta vs tors. theta energy: -67.132
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -783.797908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.797908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.797908 (E_RNA)
where:
Base-Base interactions energy: -532.872
where: short stacking energy: -218.353
Base-Backbone interact. energy: 1.849
local terms energy: -252.774576
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -30.283
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: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -748.531765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.531765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.531765 (E_RNA)
where:
Base-Base interactions energy: -531.045
where: short stacking energy: -225.128
Base-Backbone interact. energy: 0.876
local terms energy: -218.362192
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -53.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -652.490970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.490970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.490970 (E_RNA)
where:
Base-Base interactions energy: -426.132
where: short stacking energy: -181.436
Base-Backbone interact. energy: 1.312
local terms energy: -227.670429
where:
bonds (distance) C4'-P energy: -36.538
bonds (distance) P-C4' energy: -50.957
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -52.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -373.936988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.936988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.936988 (E_RNA)
where:
Base-Base interactions energy: -191.587
where: short stacking energy: -109.956
Base-Backbone interact. energy: -1.541
local terms energy: -180.808598
where:
bonds (distance) C4'-P energy: -44.873
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -48.907
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -216.616730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.616730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.616730 (E_RNA)
where:
Base-Base interactions energy: -67.104
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.765
local terms energy: -148.747535
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -49.852
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: 10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -958.048548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.048548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.048548 (E_RNA)
where:
Base-Base interactions energy: -666.249
where: short stacking energy: -292.208
Base-Backbone interact. energy: -1.291
local terms energy: -290.508527
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -56.352
flat angles C4'-P-C4' energy: -52.106
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -91.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -948.443935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.443935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.443935 (E_RNA)
where:
Base-Base interactions energy: -669.186
where: short stacking energy: -281.069
Base-Backbone interact. energy: -0.904
local terms energy: -278.354138
where:
bonds (distance) C4'-P energy: -46.290
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -60.548
flat angles P-C4'-P energy: -42.522
tors. eta vs tors. theta energy: -83.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -861.352311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.352311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.352311 (E_RNA)
where:
Base-Base interactions energy: -585.074
where: short stacking energy: -260.320
Base-Backbone interact. energy: -1.081
local terms energy: -275.197471
where:
bonds (distance) C4'-P energy: -50.452
bonds (distance) P-C4' energy: -46.411
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -44.103
tors. eta vs tors. theta energy: -75.316
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: 449
Temperature: 1.050000
Total energy: -813.462885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.462885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.462885 (E_RNA)
where:
Base-Base interactions energy: -547.177
where: short stacking energy: -225.259
Base-Backbone interact. energy: -1.079
local terms energy: -265.206176
where:
bonds (distance) C4'-P energy: -52.620
bonds (distance) P-C4' energy: -56.416
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -38.684
tors. eta vs tors. theta energy: -69.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -823.851284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.851284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.851284 (E_RNA)
where:
Base-Base interactions energy: -564.157
where: short stacking energy: -238.129
Base-Backbone interact. energy: 0.612
local terms energy: -260.307048
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -54.865
flat angles C4'-P-C4' energy: -58.571
flat angles P-C4'-P energy: -39.254
tors. eta vs tors. theta energy: -63.445
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: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -771.993072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.993072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.993072 (E_RNA)
where:
Base-Base interactions energy: -516.382
where: short stacking energy: -242.058
Base-Backbone interact. energy: -0.451
local terms energy: -255.160086
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -44.879
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -71.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -767.407348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.407348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.407348 (E_RNA)
where:
Base-Base interactions energy: -531.730
where: short stacking energy: -224.463
Base-Backbone interact. energy: -0.505
local terms energy: -235.172712
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -53.979
flat angles C4'-P-C4' energy: -47.027
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -55.453
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: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -642.560807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.560807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.560807 (E_RNA)
where:
Base-Base interactions energy: -417.499
where: short stacking energy: -188.698
Base-Backbone interact. energy: -0.728
local terms energy: -224.333833
where:
bonds (distance) C4'-P energy: -32.501
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -50.988
flat angles P-C4'-P energy: -35.331
tors. eta vs tors. theta energy: -57.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -363.800505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.800505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.800505 (E_RNA)
where:
Base-Base interactions energy: -197.026
where: short stacking energy: -98.418
Base-Backbone interact. energy: 0.351
local terms energy: -167.125827
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -44.826
flat angles C4'-P-C4' energy: -43.404
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -7.112
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: 449
Temperature: 1.350000
Total energy: -232.727812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.727812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.727812 (E_RNA)
where:
Base-Base interactions energy: -84.642
where: short stacking energy: -78.269
Base-Backbone interact. energy: -1.216
local terms energy: -146.869542
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -32.654
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -955.324036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.324036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.324036 (E_RNA)
where:
Base-Base interactions energy: -673.497
where: short stacking energy: -282.372
Base-Backbone interact. energy: 0.440
local terms energy: -282.267390
where:
bonds (distance) C4'-P energy: -53.085
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -40.970
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: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -936.788016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.788016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.788016 (E_RNA)
where:
Base-Base interactions energy: -642.757
where: short stacking energy: -286.387
Base-Backbone interact. energy: -0.097
local terms energy: -293.933888
where:
bonds (distance) C4'-P energy: -58.636
bonds (distance) P-C4' energy: -49.645
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -79.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -846.840779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.840779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.840779 (E_RNA)
where:
Base-Base interactions energy: -576.591
where: short stacking energy: -254.640
Base-Backbone interact. energy: -0.750
local terms energy: -269.499742
where:
bonds (distance) C4'-P energy: -43.551
bonds (distance) P-C4' energy: -50.488
flat angles C4'-P-C4' energy: -61.117
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -71.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -815.039845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.039845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.039845 (E_RNA)
where:
Base-Base interactions energy: -550.834
where: short stacking energy: -232.294
Base-Backbone interact. energy: -2.323
local terms energy: -261.882326
where:
bonds (distance) C4'-P energy: -45.562
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -53.837
flat angles P-C4'-P energy: -42.381
tors. eta vs tors. theta energy: -65.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -826.574288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.574288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.574288 (E_RNA)
where:
Base-Base interactions energy: -562.433
where: short stacking energy: -250.889
Base-Backbone interact. energy: -1.552
local terms energy: -262.589105
where:
bonds (distance) C4'-P energy: -48.211
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -51.947
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -79.124
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: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -791.513003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.513003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.513003 (E_RNA)
where:
Base-Base interactions energy: -534.640
where: short stacking energy: -240.602
Base-Backbone interact. energy: -0.817
local terms energy: -256.055965
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -54.163
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -64.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -746.749285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.749285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.749285 (E_RNA)
where:
Base-Base interactions energy: -521.181
where: short stacking energy: -221.085
Base-Backbone interact. energy: -0.589
local terms energy: -224.979378
where:
bonds (distance) C4'-P energy: -47.763
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -50.994
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -57.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -651.633021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.633021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.633021 (E_RNA)
where:
Base-Base interactions energy: -448.702
where: short stacking energy: -184.827
Base-Backbone interact. energy: -0.805
local terms energy: -202.126318
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -44.892
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -47.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -360.844612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.844612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.844612 (E_RNA)
where:
Base-Base interactions energy: -197.127
where: short stacking energy: -98.387
Base-Backbone interact. energy: -0.535
local terms energy: -163.182230
where:
bonds (distance) C4'-P energy: -38.861
bonds (distance) P-C4' energy: -49.321
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -252.625274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.625274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.625274 (E_RNA)
where:
Base-Base interactions energy: -87.113
where: short stacking energy: -78.221
Base-Backbone interact. energy: 1.833
local terms energy: -167.344616
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -38.067
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -6.749
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: 451
Temperature: 0.900000
Total energy: -954.231847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.231847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.231847 (E_RNA)
where:
Base-Base interactions energy: -669.236
where: short stacking energy: -292.144
Base-Backbone interact. energy: 3.252
local terms energy: -288.248245
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -53.040
flat angles C4'-P-C4' energy: -55.136
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -91.198
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: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -946.456010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.456010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.456010 (E_RNA)
where:
Base-Base interactions energy: -650.191
where: short stacking energy: -285.935
Base-Backbone interact. energy: -0.465
local terms energy: -295.800263
where:
bonds (distance) C4'-P energy: -48.248
bonds (distance) P-C4' energy: -56.385
flat angles C4'-P-C4' energy: -55.272
flat angles P-C4'-P energy: -49.698
tors. eta vs tors. theta energy: -86.197
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: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -863.554129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.554129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.554129 (E_RNA)
where:
Base-Base interactions energy: -581.546
where: short stacking energy: -258.586
Base-Backbone interact. energy: -1.016
local terms energy: -280.992829
where:
bonds (distance) C4'-P energy: -51.226
bonds (distance) P-C4' energy: -60.047
flat angles C4'-P-C4' energy: -56.746
flat angles P-C4'-P energy: -36.550
tors. eta vs tors. theta energy: -76.424
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: 451
Temperature: 1.050000
Total energy: -848.483580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.483580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.483580 (E_RNA)
where:
Base-Base interactions energy: -583.908
where: short stacking energy: -249.872
Base-Backbone interact. energy: 1.835
local terms energy: -266.410521
where:
bonds (distance) C4'-P energy: -54.710
bonds (distance) P-C4' energy: -47.360
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -74.291
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: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -814.684254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.684254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.684254 (E_RNA)
where:
Base-Base interactions energy: -568.988
where: short stacking energy: -232.545
Base-Backbone interact. energy: 0.544
local terms energy: -246.240461
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -38.833
tors. eta vs tors. theta energy: -69.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -754.399736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.399736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.399736 (E_RNA)
where:
Base-Base interactions energy: -518.211
where: short stacking energy: -237.582
Base-Backbone interact. energy: -0.127
local terms energy: -236.061978
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -50.672
flat angles P-C4'-P energy: -36.759
tors. eta vs tors. theta energy: -64.139
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -736.569129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.569129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.569129 (E_RNA)
where:
Base-Base interactions energy: -502.264
where: short stacking energy: -213.527
Base-Backbone interact. energy: -0.876
local terms energy: -233.428826
where:
bonds (distance) C4'-P energy: -40.314
bonds (distance) P-C4' energy: -41.495
flat angles C4'-P-C4' energy: -55.481
flat angles P-C4'-P energy: -34.370
tors. eta vs tors. theta energy: -61.770
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: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -645.729116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.729116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.729116 (E_RNA)
where:
Base-Base interactions energy: -437.119
where: short stacking energy: -195.643
Base-Backbone interact. energy: 1.524
local terms energy: -210.134105
where:
bonds (distance) C4'-P energy: -48.152
bonds (distance) P-C4' energy: -45.124
flat angles C4'-P-C4' energy: -38.852
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -43.054
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -341.474261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.474261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.474261 (E_RNA)
where:
Base-Base interactions energy: -166.757
where: short stacking energy: -97.955
Base-Backbone interact. energy: -0.692
local terms energy: -174.024602
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -46.946
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -219.534940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.534940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534940 (E_RNA)
where:
Base-Base interactions energy: -78.681
where: short stacking energy: -62.647
Base-Backbone interact. energy: 0.515
local terms energy: -141.368471
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: 7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -952.594857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.594857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.594857 (E_RNA)
where:
Base-Base interactions energy: -651.786
where: short stacking energy: -273.968
Base-Backbone interact. energy: -0.694
local terms energy: -300.115243
where:
bonds (distance) C4'-P energy: -55.837
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -61.301
flat angles P-C4'-P energy: -41.846
tors. eta vs tors. theta energy: -85.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -950.803562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.803562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.803562 (E_RNA)
where:
Base-Base interactions energy: -662.203
where: short stacking energy: -274.908
Base-Backbone interact. energy: -1.419
local terms energy: -287.181379
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -55.194
flat angles C4'-P-C4' energy: -58.627
flat angles P-C4'-P energy: -34.452
tors. eta vs tors. theta energy: -92.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -876.537265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.537265 (E_RNA)
where:
Base-Base interactions energy: -600.051
where: short stacking energy: -252.743
Base-Backbone interact. energy: 0.252
local terms energy: -276.737810
where:
bonds (distance) C4'-P energy: -52.756
bonds (distance) P-C4' energy: -53.231
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -72.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -828.327006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.327006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.327006 (E_RNA)
where:
Base-Base interactions energy: -582.161
where: short stacking energy: -239.516
Base-Backbone interact. energy: -0.930
local terms energy: -245.235861
where:
bonds (distance) C4'-P energy: -50.603
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -33.618
tors. eta vs tors. theta energy: -63.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -792.724231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.724231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.724231 (E_RNA)
where:
Base-Base interactions energy: -534.667
where: short stacking energy: -232.006
Base-Backbone interact. energy: -0.475
local terms energy: -257.582784
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -52.193
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -61.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -783.646026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.646026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.646026 (E_RNA)
where:
Base-Base interactions energy: -535.379
where: short stacking energy: -219.783
Base-Backbone interact. energy: -1.256
local terms energy: -247.011863
where:
bonds (distance) C4'-P energy: -50.100
bonds (distance) P-C4' energy: -55.066
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -37.818
tors. eta vs tors. theta energy: -57.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -770.773768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.773768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.773768 (E_RNA)
where:
Base-Base interactions energy: -532.273
where: short stacking energy: -228.923
Base-Backbone interact. energy: 2.173
local terms energy: -240.673849
where:
bonds (distance) C4'-P energy: -38.342
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -58.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -661.546280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.546280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.546280 (E_RNA)
where:
Base-Base interactions energy: -423.314
where: short stacking energy: -191.439
Base-Backbone interact. energy: 0.765
local terms energy: -238.997019
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -61.268
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: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -339.401440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.401440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.401440 (E_RNA)
where:
Base-Base interactions energy: -168.169
where: short stacking energy: -105.523
Base-Backbone interact. energy: 1.237
local terms energy: -172.468696
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -49.325
flat angles C4'-P-C4' energy: -50.097
flat angles P-C4'-P energy: -31.888
tors. eta vs tors. theta energy: -11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -212.356447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356447 (E_RNA)
where:
Base-Base interactions energy: -61.554
where: short stacking energy: -53.983
Base-Backbone interact. energy: -0.464
local terms energy: -150.338175
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: 4.280
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: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -955.404904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.404904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.404904 (E_RNA)
where:
Base-Base interactions energy: -658.013
where: short stacking energy: -273.471
Base-Backbone interact. energy: -2.953
local terms energy: -294.438970
where:
bonds (distance) C4'-P energy: -51.759
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -44.071
tors. eta vs tors. theta energy: -83.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -955.309486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.309486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.309486 (E_RNA)
where:
Base-Base interactions energy: -666.965
where: short stacking energy: -283.543
Base-Backbone interact. energy: -1.314
local terms energy: -287.030266
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -60.674
flat angles P-C4'-P energy: -35.658
tors. eta vs tors. theta energy: -88.983
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: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -887.819146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.819146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.819146 (E_RNA)
where:
Base-Base interactions energy: -619.586
where: short stacking energy: -252.213
Base-Backbone interact. energy: 0.026
local terms energy: -268.258688
where:
bonds (distance) C4'-P energy: -38.323
bonds (distance) P-C4' energy: -54.135
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -51.696
tors. eta vs tors. theta energy: -73.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -864.843557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.843557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.843557 (E_RNA)
where:
Base-Base interactions energy: -609.181
where: short stacking energy: -264.579
Base-Backbone interact. energy: -1.042
local terms energy: -254.620498
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -33.275
tors. eta vs tors. theta energy: -75.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -793.551684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.551684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.551684 (E_RNA)
where:
Base-Base interactions energy: -540.075
where: short stacking energy: -231.060
Base-Backbone interact. energy: -0.149
local terms energy: -253.327569
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -62.832
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: 453
Temperature: 1.150000
Total energy: -779.888070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.888070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.888070 (E_RNA)
where:
Base-Base interactions energy: -527.942
where: short stacking energy: -235.051
Base-Backbone interact. energy: 0.087
local terms energy: -252.033822
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -51.820
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -61.786
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -764.562082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.562082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.562082 (E_RNA)
where:
Base-Base interactions energy: -524.501
where: short stacking energy: -205.944
Base-Backbone interact. energy: -0.175
local terms energy: -239.886564
where:
bonds (distance) C4'-P energy: -54.840
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -51.232
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: -55.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -628.345177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.345177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.345177 (E_RNA)
where:
Base-Base interactions energy: -414.265
where: short stacking energy: -188.242
Base-Backbone interact. energy: -1.405
local terms energy: -212.675162
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -46.923
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: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -348.684534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.684534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.684534 (E_RNA)
where:
Base-Base interactions energy: -175.291
where: short stacking energy: -102.487
Base-Backbone interact. energy: 0.358
local terms energy: -173.750977
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -230.114996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.114996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.114996 (E_RNA)
where:
Base-Base interactions energy: -95.230
where: short stacking energy: -81.563
Base-Backbone interact. energy: 3.310
local terms energy: -138.194603
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -975.067617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.067617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.067617 (E_RNA)
where:
Base-Base interactions energy: -673.324
where: short stacking energy: -293.158
Base-Backbone interact. energy: -0.159
local terms energy: -301.584984
where:
bonds (distance) C4'-P energy: -53.508
bonds (distance) P-C4' energy: -54.600
flat angles C4'-P-C4' energy: -64.222
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -93.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -925.888613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.888613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.888613 (E_RNA)
where:
Base-Base interactions energy: -643.218
where: short stacking energy: -276.994
Base-Backbone interact. energy: -1.345
local terms energy: -281.325844
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -49.642
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -43.654
tors. eta vs tors. theta energy: -80.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -878.729405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.729405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.729405 (E_RNA)
where:
Base-Base interactions energy: -589.593
where: short stacking energy: -256.385
Base-Backbone interact. energy: -1.036
local terms energy: -288.101129
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -79.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -852.959899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.959899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.959899 (E_RNA)
where:
Base-Base interactions energy: -586.200
where: short stacking energy: -250.363
Base-Backbone interact. energy: -1.102
local terms energy: -265.658682
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -48.314
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -35.072
tors. eta vs tors. theta energy: -71.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -796.163767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.163767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.163767 (E_RNA)
where:
Base-Base interactions energy: -544.861
where: short stacking energy: -231.021
Base-Backbone interact. energy: -0.889
local terms energy: -250.413496
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -50.966
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -68.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -782.363668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.363668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.363668 (E_RNA)
where:
Base-Base interactions energy: -537.282
where: short stacking energy: -232.741
Base-Backbone interact. energy: -0.602
local terms energy: -244.480094
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -52.404
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -61.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -695.919088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.919088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.919088 (E_RNA)
where:
Base-Base interactions energy: -468.624
where: short stacking energy: -194.015
Base-Backbone interact. energy: 0.280
local terms energy: -227.574949
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -54.327
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -49.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -649.907608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.907608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.907608 (E_RNA)
where:
Base-Base interactions energy: -429.016
where: short stacking energy: -191.395
Base-Backbone interact. energy: -0.622
local terms energy: -220.269881
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -44.655
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -46.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -352.248889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.248889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.248889 (E_RNA)
where:
Base-Base interactions energy: -180.054
where: short stacking energy: -95.770
Base-Backbone interact. energy: 1.951
local terms energy: -174.145805
where:
bonds (distance) C4'-P energy: -47.410
bonds (distance) P-C4' energy: -46.052
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -9.857
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: 454
Temperature: 1.350000
Total energy: -241.357201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.357201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.357201 (E_RNA)
where:
Base-Base interactions energy: -90.664
where: short stacking energy: -81.957
Base-Backbone interact. energy: 3.011
local terms energy: -153.703881
where:
bonds (distance) C4'-P energy: -52.960
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -28.672
tors. eta vs tors. theta energy: 0.854
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: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -984.975605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.975605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.975605 (E_RNA)
where:
Base-Base interactions energy: -679.756
where: short stacking energy: -305.466
Base-Backbone interact. energy: -0.746
local terms energy: -304.473578
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -65.026
flat angles P-C4'-P energy: -39.536
tors. eta vs tors. theta energy: -91.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -945.623585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.623585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.623585 (E_RNA)
where:
Base-Base interactions energy: -648.949
where: short stacking energy: -279.340
Base-Backbone interact. energy: -0.601
local terms energy: -296.074101
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -58.759
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -39.199
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: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -872.921137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.921137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.921137 (E_RNA)
where:
Base-Base interactions energy: -598.009
where: short stacking energy: -260.088
Base-Backbone interact. energy: -2.103
local terms energy: -272.809898
where:
bonds (distance) C4'-P energy: -58.114
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -38.663
tors. eta vs tors. theta energy: -78.143
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: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -859.354025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.354025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.354025 (E_RNA)
where:
Base-Base interactions energy: -584.344
where: short stacking energy: -249.687
Base-Backbone interact. energy: 0.366
local terms energy: -275.375712
where:
bonds (distance) C4'-P energy: -57.420
bonds (distance) P-C4' energy: -52.138
flat angles C4'-P-C4' energy: -60.903
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -74.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -810.954063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.954063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.954063 (E_RNA)
where:
Base-Base interactions energy: -569.410
where: short stacking energy: -246.991
Base-Backbone interact. energy: 3.228
local terms energy: -244.772093
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -49.609
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -66.124
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: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -776.870193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.870193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.870193 (E_RNA)
where:
Base-Base interactions energy: -527.452
where: short stacking energy: -207.245
Base-Backbone interact. energy: -1.112
local terms energy: -248.306486
where:
bonds (distance) C4'-P energy: -43.183
bonds (distance) P-C4' energy: -48.225
flat angles C4'-P-C4' energy: -58.238
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -60.115
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: 455
Temperature: 1.200000
Total energy: -690.184754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.184754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.184754 (E_RNA)
where:
Base-Base interactions energy: -455.947
where: short stacking energy: -168.106
Base-Backbone interact. energy: -0.555
local terms energy: -233.682657
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -50.978
flat angles C4'-P-C4' energy: -52.536
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -48.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -667.325251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.325251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.325251 (E_RNA)
where:
Base-Base interactions energy: -444.077
where: short stacking energy: -195.821
Base-Backbone interact. energy: -0.729
local terms energy: -222.518660
where:
bonds (distance) C4'-P energy: -43.747
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -48.114
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -54.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -339.346894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.346894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.346894 (E_RNA)
where:
Base-Base interactions energy: -170.952
where: short stacking energy: -96.394
Base-Backbone interact. energy: 0.170
local terms energy: -168.564450
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -47.483
flat angles C4'-P-C4' energy: -50.167
flat angles P-C4'-P energy: -23.318
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -241.294218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.294218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.294218 (E_RNA)
where:
Base-Base interactions energy: -103.736
where: short stacking energy: -76.068
Base-Backbone interact. energy: -0.256
local terms energy: -137.301498
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -39.224
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -972.187716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.187716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.187716 (E_RNA)
where:
Base-Base interactions energy: -666.537
where: short stacking energy: -289.892
Base-Backbone interact. energy: -0.874
local terms energy: -304.776872
where:
bonds (distance) C4'-P energy: -62.769
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -63.152
flat angles P-C4'-P energy: -36.257
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: 456
Temperature: 0.950000
Total energy: -925.979392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.979392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.979392 (E_RNA)
where:
Base-Base interactions energy: -638.750
where: short stacking energy: -266.752
Base-Backbone interact. energy: -1.123
local terms energy: -286.106092
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -50.348
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -79.887
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: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -860.621023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.621023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.621023 (E_RNA)
where:
Base-Base interactions energy: -567.898
where: short stacking energy: -247.279
Base-Backbone interact. energy: 0.162
local terms energy: -292.885416
where:
bonds (distance) C4'-P energy: -57.453
bonds (distance) P-C4' energy: -53.947
flat angles C4'-P-C4' energy: -62.216
flat angles P-C4'-P energy: -44.596
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: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -848.184370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.184370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.184370 (E_RNA)
where:
Base-Base interactions energy: -589.940
where: short stacking energy: -247.818
Base-Backbone interact. energy: -1.482
local terms energy: -256.762454
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -56.322
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -66.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -827.314533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.314533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.314533 (E_RNA)
where:
Base-Base interactions energy: -564.025
where: short stacking energy: -262.272
Base-Backbone interact. energy: 0.158
local terms energy: -263.447180
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -54.295
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -74.275
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -764.568320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.568320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.568320 (E_RNA)
where:
Base-Base interactions energy: -524.716
where: short stacking energy: -223.709
Base-Backbone interact. energy: -1.016
local terms energy: -238.836390
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -44.998
flat angles C4'-P-C4' energy: -48.716
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -61.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -677.926673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.926673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.926673 (E_RNA)
where:
Base-Base interactions energy: -465.705
where: short stacking energy: -203.621
Base-Backbone interact. energy: -0.945
local terms energy: -211.276965
where:
bonds (distance) C4'-P energy: -38.412
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -48.299
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -47.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -689.680554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.680554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.680554 (E_RNA)
where:
Base-Base interactions energy: -471.662
where: short stacking energy: -183.139
Base-Backbone interact. energy: -0.669
local terms energy: -217.348826
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -49.985
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -45.388
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: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -234.615508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.615508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.615508 (E_RNA)
where:
Base-Base interactions energy: -79.899
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.762
local terms energy: -153.955190
where:
bonds (distance) C4'-P energy: -47.455
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -41.653
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: 13.068
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: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -341.924637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.924637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.924637 (E_RNA)
where:
Base-Base interactions energy: -178.350
where: short stacking energy: -102.055
Base-Backbone interact. energy: -1.143
local terms energy: -162.431262
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -37.370
flat angles C4'-P-C4' energy: -48.055
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -972.805805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.805805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.805805 (E_RNA)
where:
Base-Base interactions energy: -667.140
where: short stacking energy: -281.955
Base-Backbone interact. energy: -0.077
local terms energy: -305.589413
where:
bonds (distance) C4'-P energy: -58.676
bonds (distance) P-C4' energy: -56.384
flat angles C4'-P-C4' energy: -58.359
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -83.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -922.158329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.158329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.158329 (E_RNA)
where:
Base-Base interactions energy: -626.498
where: short stacking energy: -273.677
Base-Backbone interact. energy: -0.821
local terms energy: -294.838973
where:
bonds (distance) C4'-P energy: -53.318
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -64.380
flat angles P-C4'-P energy: -43.648
tors. eta vs tors. theta energy: -85.820
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: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -846.363537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.363537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.363537 (E_RNA)
where:
Base-Base interactions energy: -578.252
where: short stacking energy: -245.725
Base-Backbone interact. energy: -0.465
local terms energy: -267.647054
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -55.389
flat angles C4'-P-C4' energy: -51.142
flat angles P-C4'-P energy: -38.923
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: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -841.203925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.203925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.203925 (E_RNA)
where:
Base-Base interactions energy: -562.482
where: short stacking energy: -259.244
Base-Backbone interact. energy: -1.105
local terms energy: -277.616484
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -48.247
flat angles P-C4'-P energy: -44.417
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: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -825.494148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.494148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.494148 (E_RNA)
where:
Base-Base interactions energy: -572.726
where: short stacking energy: -238.105
Base-Backbone interact. energy: 1.106
local terms energy: -253.873815
where:
bonds (distance) C4'-P energy: -56.872
bonds (distance) P-C4' energy: -44.055
flat angles C4'-P-C4' energy: -51.272
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -63.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -786.051575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.051575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.051575 (E_RNA)
where:
Base-Base interactions energy: -537.895
where: short stacking energy: -253.805
Base-Backbone interact. energy: -0.837
local terms energy: -247.319690
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -50.075
flat angles C4'-P-C4' energy: -53.983
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -70.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -697.437444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.437444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.437444 (E_RNA)
where:
Base-Base interactions energy: -472.598
where: short stacking energy: -209.893
Base-Backbone interact. energy: 0.363
local terms energy: -225.202270
where:
bonds (distance) C4'-P energy: -43.012
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -50.610
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -56.107
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -720.475494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.475494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.475494 (E_RNA)
where:
Base-Base interactions energy: -489.497
where: short stacking energy: -191.700
Base-Backbone interact. energy: -0.773
local terms energy: -230.205277
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -286.221916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.221916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.221916 (E_RNA)
where:
Base-Base interactions energy: -137.477
where: short stacking energy: -92.949
Base-Backbone interact. energy: -0.758
local terms energy: -147.986255
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -10.375
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: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -326.637827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.637827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.637827 (E_RNA)
where:
Base-Base interactions energy: -163.965
where: short stacking energy: -95.150
Base-Backbone interact. energy: 0.446
local terms energy: -163.118805
where:
bonds (distance) C4'-P energy: -38.994
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -47.067
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -972.849709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.849709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.849709 (E_RNA)
where:
Base-Base interactions energy: -675.308
where: short stacking energy: -293.628
Base-Backbone interact. energy: 1.856
local terms energy: -299.397542
where:
bonds (distance) C4'-P energy: -52.735
bonds (distance) P-C4' energy: -50.219
flat angles C4'-P-C4' energy: -62.425
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -88.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -944.106245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.106245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.106245 (E_RNA)
where:
Base-Base interactions energy: -649.854
where: short stacking energy: -270.799
Base-Backbone interact. energy: -1.945
local terms energy: -292.307460
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -56.295
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -84.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -856.871207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.871207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.871207 (E_RNA)
where:
Base-Base interactions energy: -585.836
where: short stacking energy: -252.923
Base-Backbone interact. energy: 1.286
local terms energy: -272.320451
where:
bonds (distance) C4'-P energy: -54.259
bonds (distance) P-C4' energy: -54.238
flat angles C4'-P-C4' energy: -57.082
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: -68.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -842.793862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.793862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.793862 (E_RNA)
where:
Base-Base interactions energy: -583.350
where: short stacking energy: -243.930
Base-Backbone interact. energy: -1.219
local terms energy: -258.225179
where:
bonds (distance) C4'-P energy: -49.904
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -34.915
tors. eta vs tors. theta energy: -67.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -812.045490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.045490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.045490 (E_RNA)
where:
Base-Base interactions energy: -558.722
where: short stacking energy: -251.485
Base-Backbone interact. energy: 3.398
local terms energy: -256.721266
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -76.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -796.522034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.522034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.522034 (E_RNA)
where:
Base-Base interactions energy: -545.808
where: short stacking energy: -243.909
Base-Backbone interact. energy: 2.079
local terms energy: -252.793625
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -52.928
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -67.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -706.510154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.510154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.510154 (E_RNA)
where:
Base-Base interactions energy: -489.699
where: short stacking energy: -225.611
Base-Backbone interact. energy: -0.649
local terms energy: -216.162473
where:
bonds (distance) C4'-P energy: -27.258
bonds (distance) P-C4' energy: -42.176
flat angles C4'-P-C4' energy: -54.854
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -61.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -725.231860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.231860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.231860 (E_RNA)
where:
Base-Base interactions energy: -503.091
where: short stacking energy: -218.568
Base-Backbone interact. energy: -0.384
local terms energy: -221.757208
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -38.484
flat angles C4'-P-C4' energy: -47.579
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -60.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -323.600140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.600140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.600140 (E_RNA)
where:
Base-Base interactions energy: -155.587
where: short stacking energy: -86.407
Base-Backbone interact. energy: 0.484
local terms energy: -168.497133
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -285.506973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.506973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.506973 (E_RNA)
where:
Base-Base interactions energy: -134.014
where: short stacking energy: -88.465
Base-Backbone interact. energy: -1.138
local terms energy: -150.354538
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -33.647
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -4.763
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: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -965.242164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.242164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.242164 (E_RNA)
where:
Base-Base interactions energy: -666.436
where: short stacking energy: -296.394
Base-Backbone interact. energy: -0.091
local terms energy: -298.715656
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -65.404
flat angles P-C4'-P energy: -45.528
tors. eta vs tors. theta energy: -88.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -939.278744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.278744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.278744 (E_RNA)
where:
Base-Base interactions energy: -647.580
where: short stacking energy: -271.129
Base-Backbone interact. energy: -1.061
local terms energy: -290.637797
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -55.675
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -89.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -876.185212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.185212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.185212 (E_RNA)
where:
Base-Base interactions energy: -592.843
where: short stacking energy: -263.396
Base-Backbone interact. energy: -0.260
local terms energy: -283.081978
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -45.104
tors. eta vs tors. theta energy: -74.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -832.199933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.199933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.199933 (E_RNA)
where:
Base-Base interactions energy: -571.846
where: short stacking energy: -255.289
Base-Backbone interact. energy: -1.445
local terms energy: -258.909198
where:
bonds (distance) C4'-P energy: -41.308
bonds (distance) P-C4' energy: -46.606
flat angles C4'-P-C4' energy: -57.100
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -72.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -811.294695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.294695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.294695 (E_RNA)
where:
Base-Base interactions energy: -570.504
where: short stacking energy: -233.409
Base-Backbone interact. energy: -0.188
local terms energy: -240.602626
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -58.299
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -64.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -716.001619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.001619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.001619 (E_RNA)
where:
Base-Base interactions energy: -474.723
where: short stacking energy: -205.695
Base-Backbone interact. energy: -0.532
local terms energy: -240.747040
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -45.055
flat angles C4'-P-C4' energy: -55.065
flat angles P-C4'-P energy: -32.404
tors. eta vs tors. theta energy: -53.930
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: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -760.174330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.174330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.174330 (E_RNA)
where:
Base-Base interactions energy: -523.998
where: short stacking energy: -208.029
Base-Backbone interact. energy: -2.833
local terms energy: -233.343503
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -50.694
flat angles C4'-P-C4' energy: -47.076
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: -53.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -697.374206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.374206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.374206 (E_RNA)
where:
Base-Base interactions energy: -500.247
where: short stacking energy: -196.338
Base-Backbone interact. energy: -0.911
local terms energy: -196.216264
where:
bonds (distance) C4'-P energy: -47.307
bonds (distance) P-C4' energy: -35.600
flat angles C4'-P-C4' energy: -40.825
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -48.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -333.735113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.735113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.735113 (E_RNA)
where:
Base-Base interactions energy: -159.494
where: short stacking energy: -84.615
Base-Backbone interact. energy: 1.255
local terms energy: -175.496872
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -1.491
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: 459
Temperature: 1.350000
Total energy: -225.099539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.099539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.099539 (E_RNA)
where:
Base-Base interactions energy: -74.404
where: short stacking energy: -52.042
Base-Backbone interact. energy: -1.133
local terms energy: -149.562694
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -56.246
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: 10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -958.993145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.993145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.993145 (E_RNA)
where:
Base-Base interactions energy: -653.720
where: short stacking energy: -270.047
Base-Backbone interact. energy: -0.845
local terms energy: -304.427450
where:
bonds (distance) C4'-P energy: -58.154
bonds (distance) P-C4' energy: -51.286
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -82.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -935.311944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.311944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.311944 (E_RNA)
where:
Base-Base interactions energy: -639.423
where: short stacking energy: -270.123
Base-Backbone interact. energy: -1.200
local terms energy: -294.689311
where:
bonds (distance) C4'-P energy: -53.220
bonds (distance) P-C4' energy: -53.620
flat angles C4'-P-C4' energy: -60.552
flat angles P-C4'-P energy: -42.820
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -867.055099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.055099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.055099 (E_RNA)
where:
Base-Base interactions energy: -594.163
where: short stacking energy: -250.430
Base-Backbone interact. energy: -0.476
local terms energy: -272.416461
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -54.035
flat angles C4'-P-C4' energy: -59.295
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -67.447
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: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -825.408407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.408407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.408407 (E_RNA)
where:
Base-Base interactions energy: -561.412
where: short stacking energy: -250.322
Base-Backbone interact. energy: 1.505
local terms energy: -265.501082
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -50.763
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -72.638
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: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -814.431181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.431181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.431181 (E_RNA)
where:
Base-Base interactions energy: -574.971
where: short stacking energy: -216.743
Base-Backbone interact. energy: -0.165
local terms energy: -239.295912
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -49.995
flat angles C4'-P-C4' energy: -47.750
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -60.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -750.402407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.402407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.402407 (E_RNA)
where:
Base-Base interactions energy: -512.333
where: short stacking energy: -232.129
Base-Backbone interact. energy: 0.834
local terms energy: -238.903923
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -47.236
flat angles P-C4'-P energy: -33.483
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -793.100856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.100856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.100856 (E_RNA)
where:
Base-Base interactions energy: -543.890
where: short stacking energy: -233.972
Base-Backbone interact. energy: -0.373
local terms energy: -248.838465
where:
bonds (distance) C4'-P energy: -50.860
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -71.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -686.324024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.324024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.324024 (E_RNA)
where:
Base-Base interactions energy: -484.574
where: short stacking energy: -203.806
Base-Backbone interact. energy: -0.893
local terms energy: -200.856795
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -30.397
flat angles C4'-P-C4' energy: -45.972
flat angles P-C4'-P energy: -30.581
tors. eta vs tors. theta energy: -48.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -222.601921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.601921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.601921 (E_RNA)
where:
Base-Base interactions energy: -70.953
where: short stacking energy: -65.372
Base-Backbone interact. energy: 1.963
local terms energy: -153.611950
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: 8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -343.721824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.721824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.721824 (E_RNA)
where:
Base-Base interactions energy: -170.174
where: short stacking energy: -103.216
Base-Backbone interact. energy: -0.804
local terms energy: -172.742978
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -37.973
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -950.932030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.932030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.932030 (E_RNA)
where:
Base-Base interactions energy: -664.965
where: short stacking energy: -283.899
Base-Backbone interact. energy: -1.798
local terms energy: -284.169026
where:
bonds (distance) C4'-P energy: -48.712
bonds (distance) P-C4' energy: -49.248
flat angles C4'-P-C4' energy: -62.198
flat angles P-C4'-P energy: -46.393
tors. eta vs tors. theta energy: -77.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -916.764693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.764693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.764693 (E_RNA)
where:
Base-Base interactions energy: -627.776
where: short stacking energy: -271.992
Base-Backbone interact. energy: -1.318
local terms energy: -287.670299
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -81.044
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: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -866.774376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.774376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.774376 (E_RNA)
where:
Base-Base interactions energy: -599.721
where: short stacking energy: -251.473
Base-Backbone interact. energy: -1.253
local terms energy: -265.800938
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -53.411
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -41.494
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: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -817.377729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.377729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.377729 (E_RNA)
where:
Base-Base interactions energy: -558.052
where: short stacking energy: -236.871
Base-Backbone interact. energy: -1.124
local terms energy: -258.201828
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -37.436
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: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -806.894111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.894111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.894111 (E_RNA)
where:
Base-Base interactions energy: -565.912
where: short stacking energy: -229.574
Base-Backbone interact. energy: -1.284
local terms energy: -239.697929
where:
bonds (distance) C4'-P energy: -47.675
bonds (distance) P-C4' energy: -55.399
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -57.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -786.814958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.814958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.814958 (E_RNA)
where:
Base-Base interactions energy: -544.751
where: short stacking energy: -244.793
Base-Backbone interact. energy: 0.826
local terms energy: -242.889956
where:
bonds (distance) C4'-P energy: -53.879
bonds (distance) P-C4' energy: -42.262
flat angles C4'-P-C4' energy: -51.514
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -61.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -704.395501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.395501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.395501 (E_RNA)
where:
Base-Base interactions energy: -482.530
where: short stacking energy: -199.027
Base-Backbone interact. energy: 0.216
local terms energy: -222.081344
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -39.435
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -64.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -710.094825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.094825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.094825 (E_RNA)
where:
Base-Base interactions energy: -483.469
where: short stacking energy: -188.321
Base-Backbone interact. energy: -0.782
local terms energy: -225.843756
where:
bonds (distance) C4'-P energy: -47.171
bonds (distance) P-C4' energy: -54.511
flat angles C4'-P-C4' energy: -43.386
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -52.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -238.691357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.691357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.691357 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -92.290
Base-Backbone interact. energy: -1.365
local terms energy: -133.412045
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -45.391
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: 14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -320.635038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.635038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.635038 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -99.610
Base-Backbone interact. energy: 0.214
local terms energy: -156.933020
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -49.589
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -962.471770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.471770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.471770 (E_RNA)
where:
Base-Base interactions energy: -657.075
where: short stacking energy: -289.782
Base-Backbone interact. energy: -1.502
local terms energy: -303.894695
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -61.704
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -85.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -952.242852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.242852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.242852 (E_RNA)
where:
Base-Base interactions energy: -656.740
where: short stacking energy: -289.803
Base-Backbone interact. energy: -0.554
local terms energy: -294.948890
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -60.810
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -90.581
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: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -869.901133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.901133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.901133 (E_RNA)
where:
Base-Base interactions energy: -594.748
where: short stacking energy: -259.678
Base-Backbone interact. energy: -1.726
local terms energy: -273.426590
where:
bonds (distance) C4'-P energy: -60.775
bonds (distance) P-C4' energy: -44.574
flat angles C4'-P-C4' energy: -57.192
flat angles P-C4'-P energy: -39.854
tors. eta vs tors. theta energy: -71.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -836.127284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.127284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.127284 (E_RNA)
where:
Base-Base interactions energy: -568.189
where: short stacking energy: -248.679
Base-Backbone interact. energy: -0.118
local terms energy: -267.819930
where:
bonds (distance) C4'-P energy: -50.919
bonds (distance) P-C4' energy: -49.039
flat angles C4'-P-C4' energy: -58.609
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -68.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -818.257111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.257111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.257111 (E_RNA)
where:
Base-Base interactions energy: -577.539
where: short stacking energy: -232.396
Base-Backbone interact. energy: 0.756
local terms energy: -241.474509
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -60.432
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -55.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -830.697545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.697545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.697545 (E_RNA)
where:
Base-Base interactions energy: -594.763
where: short stacking energy: -234.885
Base-Backbone interact. energy: -0.017
local terms energy: -235.917283
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -46.052
flat angles C4'-P-C4' energy: -54.099
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: -64.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -717.906365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.906365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.906365 (E_RNA)
where:
Base-Base interactions energy: -493.606
where: short stacking energy: -207.402
Base-Backbone interact. energy: 0.134
local terms energy: -224.433776
where:
bonds (distance) C4'-P energy: -47.364
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -44.050
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: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -693.177641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.177641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.177641 (E_RNA)
where:
Base-Base interactions energy: -459.701
where: short stacking energy: -187.175
Base-Backbone interact. energy: -1.254
local terms energy: -232.222486
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -55.224
flat angles C4'-P-C4' energy: -37.668
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: -54.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -345.571884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.571884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.571884 (E_RNA)
where:
Base-Base interactions energy: -179.126
where: short stacking energy: -116.698
Base-Backbone interact. energy: -0.389
local terms energy: -166.057039
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -213.830531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.830531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.830531 (E_RNA)
where:
Base-Base interactions energy: -86.925
where: short stacking energy: -74.285
Base-Backbone interact. energy: -2.228
local terms energy: -124.677837
where:
bonds (distance) C4'-P energy: -45.384
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: 5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -963.227636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.227636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.227636 (E_RNA)
where:
Base-Base interactions energy: -673.283
where: short stacking energy: -280.721
Base-Backbone interact. energy: -1.492
local terms energy: -288.453538
where:
bonds (distance) C4'-P energy: -48.825
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -43.163
tors. eta vs tors. theta energy: -80.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -949.081766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.081766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.081766 (E_RNA)
where:
Base-Base interactions energy: -647.855
where: short stacking energy: -282.420
Base-Backbone interact. energy: -0.814
local terms energy: -300.412803
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -61.155
flat angles C4'-P-C4' energy: -54.568
flat angles P-C4'-P energy: -44.099
tors. eta vs tors. theta energy: -90.728
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -874.925206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.925206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.925206 (E_RNA)
where:
Base-Base interactions energy: -603.457
where: short stacking energy: -266.910
Base-Backbone interact. energy: 0.317
local terms energy: -271.784871
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -56.204
flat angles C4'-P-C4' energy: -60.475
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -78.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -845.243466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.243466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.243466 (E_RNA)
where:
Base-Base interactions energy: -582.050
where: short stacking energy: -237.625
Base-Backbone interact. energy: -0.885
local terms energy: -262.308695
where:
bonds (distance) C4'-P energy: -53.018
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -66.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -807.884565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.884565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.884565 (E_RNA)
where:
Base-Base interactions energy: -549.748
where: short stacking energy: -243.293
Base-Backbone interact. energy: -0.703
local terms energy: -257.433450
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -56.056
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -66.081
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -790.878889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.878889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.878889 (E_RNA)
where:
Base-Base interactions energy: -544.984
where: short stacking energy: -245.845
Base-Backbone interact. energy: 0.901
local terms energy: -246.796624
where:
bonds (distance) C4'-P energy: -48.098
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -61.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -699.936840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.936840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.936840 (E_RNA)
where:
Base-Base interactions energy: -480.770
where: short stacking energy: -204.015
Base-Backbone interact. energy: -0.794
local terms energy: -218.372819
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -45.637
flat angles C4'-P-C4' energy: -44.085
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -50.639
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: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -662.746341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.746341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.746341 (E_RNA)
where:
Base-Base interactions energy: -436.499
where: short stacking energy: -192.493
Base-Backbone interact. energy: -1.179
local terms energy: -225.069038
where:
bonds (distance) C4'-P energy: -42.678
bonds (distance) P-C4' energy: -48.538
flat angles C4'-P-C4' energy: -47.510
flat angles P-C4'-P energy: -33.143
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: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -357.128139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.128139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.128139 (E_RNA)
where:
Base-Base interactions energy: -193.146
where: short stacking energy: -98.449
Base-Backbone interact. energy: -0.694
local terms energy: -163.288051
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -41.789
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -8.193
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: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -243.464570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.464570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.464570 (E_RNA)
where:
Base-Base interactions energy: -102.892
where: short stacking energy: -68.790
Base-Backbone interact. energy: 0.133
local terms energy: -140.705242
where:
bonds (distance) C4'-P energy: -48.822
bonds (distance) P-C4' energy: -47.142
flat angles C4'-P-C4' energy: -38.535
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: 15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -962.906607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.906607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.906607 (E_RNA)
where:
Base-Base interactions energy: -654.748
where: short stacking energy: -272.883
Base-Backbone interact. energy: 1.735
local terms energy: -309.894026
where:
bonds (distance) C4'-P energy: -53.762
bonds (distance) P-C4' energy: -61.122
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -89.439
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: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -935.699429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.699429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.699429 (E_RNA)
where:
Base-Base interactions energy: -643.010
where: short stacking energy: -261.541
Base-Backbone interact. energy: 0.922
local terms energy: -293.611827
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -37.205
tors. eta vs tors. theta energy: -85.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -864.807471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.807471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.807471 (E_RNA)
where:
Base-Base interactions energy: -590.276
where: short stacking energy: -255.217
Base-Backbone interact. energy: -0.483
local terms energy: -274.048772
where:
bonds (distance) C4'-P energy: -56.630
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -71.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -847.614249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.614249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.614249 (E_RNA)
where:
Base-Base interactions energy: -594.951
where: short stacking energy: -250.384
Base-Backbone interact. energy: -0.899
local terms energy: -251.763934
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -63.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -811.213622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.213622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.213622 (E_RNA)
where:
Base-Base interactions energy: -558.304
where: short stacking energy: -250.547
Base-Backbone interact. energy: 0.903
local terms energy: -253.813272
where:
bonds (distance) C4'-P energy: -53.734
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -57.218
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -63.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -757.539551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.539551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.539551 (E_RNA)
where:
Base-Base interactions energy: -526.727
where: short stacking energy: -230.148
Base-Backbone interact. energy: 0.266
local terms energy: -231.079057
where:
bonds (distance) C4'-P energy: -38.326
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -55.521
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -62.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -736.093266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.093266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.093266 (E_RNA)
where:
Base-Base interactions energy: -503.604
where: short stacking energy: -223.693
Base-Backbone interact. energy: 2.698
local terms energy: -235.187356
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -52.028
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -62.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -698.905140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.905140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.905140 (E_RNA)
where:
Base-Base interactions energy: -474.178
where: short stacking energy: -199.494
Base-Backbone interact. energy: 1.228
local terms energy: -225.955132
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -42.526
flat angles C4'-P-C4' energy: -50.983
flat angles P-C4'-P energy: -37.524
tors. eta vs tors. theta energy: -49.524
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: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -344.554698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.554698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.554698 (E_RNA)
where:
Base-Base interactions energy: -192.924
where: short stacking energy: -110.367
Base-Backbone interact. energy: -0.915
local terms energy: -150.715740
where:
bonds (distance) C4'-P energy: -36.476
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -252.329370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.329370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.329370 (E_RNA)
where:
Base-Base interactions energy: -100.882
where: short stacking energy: -80.062
Base-Backbone interact. energy: 0.945
local terms energy: -152.392477
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -45.609
flat angles C4'-P-C4' energy: -45.165
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -965.212570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.212570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.212570 (E_RNA)
where:
Base-Base interactions energy: -668.744
where: short stacking energy: -283.437
Base-Backbone interact. energy: -2.258
local terms energy: -294.210572
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -63.105
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -88.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -963.401579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.401579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.401579 (E_RNA)
where:
Base-Base interactions energy: -676.211
where: short stacking energy: -271.304
Base-Backbone interact. energy: -1.236
local terms energy: -285.954851
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -55.128
flat angles C4'-P-C4' energy: -59.033
flat angles P-C4'-P energy: -34.143
tors. eta vs tors. theta energy: -84.812
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: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -866.940240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.940240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.940240 (E_RNA)
where:
Base-Base interactions energy: -596.967
where: short stacking energy: -263.717
Base-Backbone interact. energy: -0.910
local terms energy: -269.063441
where:
bonds (distance) C4'-P energy: -49.362
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: -73.051
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -820.849645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.849645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.849645 (E_RNA)
where:
Base-Base interactions energy: -575.480
where: short stacking energy: -248.894
Base-Backbone interact. energy: -0.313
local terms energy: -245.056538
where:
bonds (distance) C4'-P energy: -42.365
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -66.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -850.386873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.386873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.386873 (E_RNA)
where:
Base-Base interactions energy: -603.125
where: short stacking energy: -265.939
Base-Backbone interact. energy: 0.878
local terms energy: -248.139166
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -49.958
flat angles P-C4'-P energy: -32.998
tors. eta vs tors. theta energy: -68.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -776.018010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.018010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.018010 (E_RNA)
where:
Base-Base interactions energy: -518.435
where: short stacking energy: -226.710
Base-Backbone interact. energy: -0.733
local terms energy: -256.849835
where:
bonds (distance) C4'-P energy: -50.262
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -55.862
flat angles P-C4'-P energy: -39.807
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: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -724.391783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.391783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.391783 (E_RNA)
where:
Base-Base interactions energy: -507.869
where: short stacking energy: -212.188
Base-Backbone interact. energy: 0.891
local terms energy: -217.413279
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -43.003
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -68.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -705.720427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.720427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.720427 (E_RNA)
where:
Base-Base interactions energy: -484.463
where: short stacking energy: -194.723
Base-Backbone interact. energy: -1.514
local terms energy: -219.742565
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -46.955
flat angles C4'-P-C4' energy: -51.855
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -49.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -358.996208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.996208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.996208 (E_RNA)
where:
Base-Base interactions energy: -172.892
where: short stacking energy: -97.207
Base-Backbone interact. energy: -0.333
local terms energy: -185.771426
where:
bonds (distance) C4'-P energy: -42.077
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -50.433
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -15.577
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: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -268.453583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.453583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.453583 (E_RNA)
where:
Base-Base interactions energy: -121.964
where: short stacking energy: -62.106
Base-Backbone interact. energy: 1.378
local terms energy: -147.867165
where:
bonds (distance) C4'-P energy: -52.314
bonds (distance) P-C4' energy: -43.890
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -28.979
tors. eta vs tors. theta energy: 7.642
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: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -974.114726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.114726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.114726 (E_RNA)
where:
Base-Base interactions energy: -683.979
where: short stacking energy: -299.830
Base-Backbone interact. energy: -1.072
local terms energy: -289.063700
where:
bonds (distance) C4'-P energy: -51.866
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -56.338
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -91.446
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: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -954.889219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.889219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.889219 (E_RNA)
where:
Base-Base interactions energy: -662.968
where: short stacking energy: -277.211
Base-Backbone interact. energy: 1.397
local terms energy: -293.318541
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -60.869
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -83.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -855.842790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.842790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.842790 (E_RNA)
where:
Base-Base interactions energy: -575.486
where: short stacking energy: -244.927
Base-Backbone interact. energy: -0.895
local terms energy: -279.460971
where:
bonds (distance) C4'-P energy: -51.972
bonds (distance) P-C4' energy: -48.641
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -44.057
tors. eta vs tors. theta energy: -76.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -839.271181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.271181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.271181 (E_RNA)
where:
Base-Base interactions energy: -566.660
where: short stacking energy: -237.292
Base-Backbone interact. energy: -0.218
local terms energy: -272.393064
where:
bonds (distance) C4'-P energy: -41.549
bonds (distance) P-C4' energy: -55.020
flat angles C4'-P-C4' energy: -64.522
flat angles P-C4'-P energy: -41.933
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: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -823.680459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.680459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.680459 (E_RNA)
where:
Base-Base interactions energy: -574.108
where: short stacking energy: -220.383
Base-Backbone interact. energy: 0.051
local terms energy: -249.623376
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -54.838
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -60.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -768.120857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.120857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.120857 (E_RNA)
where:
Base-Base interactions energy: -541.547
where: short stacking energy: -235.966
Base-Backbone interact. energy: -0.726
local terms energy: -225.848168
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -32.128
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: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -697.679518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.679518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.679518 (E_RNA)
where:
Base-Base interactions energy: -465.074
where: short stacking energy: -188.877
Base-Backbone interact. energy: -0.622
local terms energy: -231.983130
where:
bonds (distance) C4'-P energy: -43.896
bonds (distance) P-C4' energy: -56.506
flat angles C4'-P-C4' energy: -53.949
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -53.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -698.407020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.407020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.407020 (E_RNA)
where:
Base-Base interactions energy: -474.299
where: short stacking energy: -202.309
Base-Backbone interact. energy: -0.485
local terms energy: -223.622728
where:
bonds (distance) C4'-P energy: -57.267
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -43.627
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -52.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -345.018745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.018745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.018745 (E_RNA)
where:
Base-Base interactions energy: -174.365
where: short stacking energy: -106.261
Base-Backbone interact. energy: -1.152
local terms energy: -169.501667
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -40.273
flat angles P-C4'-P energy: -27.874
tors. eta vs tors. theta energy: -15.950
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: 466
Temperature: 1.350000
Total energy: -230.645948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.645948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.645948 (E_RNA)
where:
Base-Base interactions energy: -72.265
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.470
local terms energy: -157.911345
where:
bonds (distance) C4'-P energy: -43.834
bonds (distance) P-C4' energy: -48.729
flat angles C4'-P-C4' energy: -35.622
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: 4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -975.906701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.906701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.906701 (E_RNA)
where:
Base-Base interactions energy: -677.922
where: short stacking energy: -294.945
Base-Backbone interact. energy: -0.619
local terms energy: -297.365147
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -46.122
flat angles C4'-P-C4' energy: -66.829
flat angles P-C4'-P energy: -51.371
tors. eta vs tors. theta energy: -92.575
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: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -955.820600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.820600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.820600 (E_RNA)
where:
Base-Base interactions energy: -665.690
where: short stacking energy: -288.427
Base-Backbone interact. energy: -0.382
local terms energy: -289.748527
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -57.752
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -86.961
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: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -866.040577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.040577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.040577 (E_RNA)
where:
Base-Base interactions energy: -603.221
where: short stacking energy: -254.177
Base-Backbone interact. energy: 0.027
local terms energy: -262.846013
where:
bonds (distance) C4'-P energy: -54.710
bonds (distance) P-C4' energy: -46.868
flat angles C4'-P-C4' energy: -57.376
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -66.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -850.107730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.107730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.107730 (E_RNA)
where:
Base-Base interactions energy: -574.741
where: short stacking energy: -244.796
Base-Backbone interact. energy: 0.172
local terms energy: -275.538352
where:
bonds (distance) C4'-P energy: -54.595
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -57.568
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -73.590
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: 467
Temperature: 1.100000
Total energy: -850.246136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.246136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.246136 (E_RNA)
where:
Base-Base interactions energy: -566.856
where: short stacking energy: -243.927
Base-Backbone interact. energy: 0.959
local terms energy: -284.349064
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -57.928
flat angles P-C4'-P energy: -44.430
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: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -784.147472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.147472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.147472 (E_RNA)
where:
Base-Base interactions energy: -517.246
where: short stacking energy: -230.690
Base-Backbone interact. energy: -0.451
local terms energy: -266.450135
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -52.490
flat angles C4'-P-C4' energy: -51.931
flat angles P-C4'-P energy: -46.550
tors. eta vs tors. theta energy: -65.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -680.921129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.921129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.921129 (E_RNA)
where:
Base-Base interactions energy: -464.219
where: short stacking energy: -201.931
Base-Backbone interact. energy: 1.179
local terms energy: -217.880283
where:
bonds (distance) C4'-P energy: -45.804
bonds (distance) P-C4' energy: -45.892
flat angles C4'-P-C4' energy: -50.576
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -50.484
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: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -665.440094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.440094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.440094 (E_RNA)
where:
Base-Base interactions energy: -452.072
where: short stacking energy: -181.088
Base-Backbone interact. energy: -1.047
local terms energy: -212.321051
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -49.281
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: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -354.981010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.981010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.981010 (E_RNA)
where:
Base-Base interactions energy: -180.423
where: short stacking energy: -110.603
Base-Backbone interact. energy: 0.545
local terms energy: -175.102609
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -46.099
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -227.570939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.570939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.570939 (E_RNA)
where:
Base-Base interactions energy: -83.772
where: short stacking energy: -62.508
Base-Backbone interact. energy: 0.323
local terms energy: -144.121933
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -41.983
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: 7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -960.306562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.306562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.306562 (E_RNA)
where:
Base-Base interactions energy: -668.372
where: short stacking energy: -276.766
Base-Backbone interact. energy: -1.695
local terms energy: -290.239410
where:
bonds (distance) C4'-P energy: -47.239
bonds (distance) P-C4' energy: -53.844
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -44.071
tors. eta vs tors. theta energy: -86.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -952.582783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.582783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.582783 (E_RNA)
where:
Base-Base interactions energy: -659.971
where: short stacking energy: -271.678
Base-Backbone interact. energy: -1.356
local terms energy: -291.255524
where:
bonds (distance) C4'-P energy: -50.768
bonds (distance) P-C4' energy: -54.663
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: -84.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -875.952851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.952851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.952851 (E_RNA)
where:
Base-Base interactions energy: -598.806
where: short stacking energy: -255.641
Base-Backbone interact. energy: -0.667
local terms energy: -276.479439
where:
bonds (distance) C4'-P energy: -48.702
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -74.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -844.617733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.617733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.617733 (E_RNA)
where:
Base-Base interactions energy: -586.780
where: short stacking energy: -243.702
Base-Backbone interact. energy: 0.423
local terms energy: -258.260021
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -44.227
flat angles C4'-P-C4' energy: -60.224
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -67.677
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: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -847.548930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.548930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.548930 (E_RNA)
where:
Base-Base interactions energy: -573.818
where: short stacking energy: -241.136
Base-Backbone interact. energy: -0.067
local terms energy: -273.664163
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -55.775
flat angles P-C4'-P energy: -41.420
tors. eta vs tors. theta energy: -66.714
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: 468
Temperature: 1.150000
Total energy: -778.085075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.085075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.085075 (E_RNA)
where:
Base-Base interactions energy: -530.591
where: short stacking energy: -215.332
Base-Backbone interact. energy: 0.086
local terms energy: -247.579852
where:
bonds (distance) C4'-P energy: -40.081
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -55.672
flat angles P-C4'-P energy: -27.660
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: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -682.680475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.680475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.680475 (E_RNA)
where:
Base-Base interactions energy: -450.117
where: short stacking energy: -196.316
Base-Backbone interact. energy: 0.125
local terms energy: -232.688287
where:
bonds (distance) C4'-P energy: -48.715
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -49.555
flat angles P-C4'-P energy: -33.024
tors. eta vs tors. theta energy: -56.795
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: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -675.972199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.972199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.972199 (E_RNA)
where:
Base-Base interactions energy: -461.909
where: short stacking energy: -199.474
Base-Backbone interact. energy: -1.478
local terms energy: -212.586052
where:
bonds (distance) C4'-P energy: -32.155
bonds (distance) P-C4' energy: -50.647
flat angles C4'-P-C4' energy: -43.102
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -53.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -364.109960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.109960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.109960 (E_RNA)
where:
Base-Base interactions energy: -171.279
where: short stacking energy: -96.586
Base-Backbone interact. energy: -0.723
local terms energy: -192.108041
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -40.272
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: -13.009
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: 468
Temperature: 1.350000
Total energy: -217.406556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.406556 (E_RNA)
where:
Base-Base interactions energy: -66.994
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.863
local terms energy: -149.549858
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -38.115
tors. eta vs tors. theta energy: 12.464
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: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -980.116410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.116410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.116410 (E_RNA)
where:
Base-Base interactions energy: -680.524
where: short stacking energy: -302.841
Base-Backbone interact. energy: -0.958
local terms energy: -298.634762
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -35.589
tors. eta vs tors. theta energy: -96.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -939.768547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.768547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.768547 (E_RNA)
where:
Base-Base interactions energy: -645.170
where: short stacking energy: -277.100
Base-Backbone interact. energy: -1.225
local terms energy: -293.373512
where:
bonds (distance) C4'-P energy: -53.336
bonds (distance) P-C4' energy: -54.194
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -43.872
tors. eta vs tors. theta energy: -82.383
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -850.095188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.095188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.095188 (E_RNA)
where:
Base-Base interactions energy: -573.846
where: short stacking energy: -257.502
Base-Backbone interact. energy: -0.216
local terms energy: -276.033742
where:
bonds (distance) C4'-P energy: -50.664
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -65.329
flat angles P-C4'-P energy: -36.588
tors. eta vs tors. theta energy: -74.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -838.651270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.651270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.651270 (E_RNA)
where:
Base-Base interactions energy: -580.043
where: short stacking energy: -236.624
Base-Backbone interact. energy: -1.099
local terms energy: -257.509673
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -45.621
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -69.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -839.015931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.015931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.015931 (E_RNA)
where:
Base-Base interactions energy: -568.600
where: short stacking energy: -242.165
Base-Backbone interact. energy: 1.225
local terms energy: -271.640697
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -52.141
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -45.661
tors. eta vs tors. theta energy: -70.102
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: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -777.048694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.048694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.048694 (E_RNA)
where:
Base-Base interactions energy: -513.180
where: short stacking energy: -223.776
Base-Backbone interact. energy: -1.158
local terms energy: -262.711252
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -52.300
flat angles C4'-P-C4' energy: -54.480
flat angles P-C4'-P energy: -37.309
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: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -688.002919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.002919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.002919 (E_RNA)
where:
Base-Base interactions energy: -459.280
where: short stacking energy: -216.886
Base-Backbone interact. energy: -0.281
local terms energy: -228.442397
where:
bonds (distance) C4'-P energy: -51.041
bonds (distance) P-C4' energy: -43.845
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -57.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -662.931895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.931895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.931895 (E_RNA)
where:
Base-Base interactions energy: -454.748
where: short stacking energy: -186.817
Base-Backbone interact. energy: 0.208
local terms energy: -208.391968
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -41.930
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -349.745867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.745867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.745867 (E_RNA)
where:
Base-Base interactions energy: -169.549
where: short stacking energy: -100.364
Base-Backbone interact. energy: -1.006
local terms energy: -179.191264
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -38.908
flat angles C4'-P-C4' energy: -47.173
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -18.877
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: 469
Temperature: 1.350000
Total energy: -227.309549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.309549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.309549 (E_RNA)
where:
Base-Base interactions energy: -95.782
where: short stacking energy: -67.048
Base-Backbone interact. energy: -1.647
local terms energy: -129.879988
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -38.507
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -26.119
tors. eta vs tors. theta energy: -0.778
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: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -961.470147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.470147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.470147 (E_RNA)
where:
Base-Base interactions energy: -652.471
where: short stacking energy: -280.527
Base-Backbone interact. energy: -0.453
local terms energy: -308.546124
where:
bonds (distance) C4'-P energy: -52.620
bonds (distance) P-C4' energy: -58.974
flat angles C4'-P-C4' energy: -65.299
flat angles P-C4'-P energy: -43.796
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: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -943.970873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.970873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.970873 (E_RNA)
where:
Base-Base interactions energy: -656.733
where: short stacking energy: -276.669
Base-Backbone interact. energy: -3.151
local terms energy: -284.086846
where:
bonds (distance) C4'-P energy: -50.548
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -61.004
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -82.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -861.465154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.465154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.465154 (E_RNA)
where:
Base-Base interactions energy: -577.619
where: short stacking energy: -262.461
Base-Backbone interact. energy: -0.108
local terms energy: -283.737870
where:
bonds (distance) C4'-P energy: -48.203
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -57.634
flat angles P-C4'-P energy: -45.940
tors. eta vs tors. theta energy: -83.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -850.696847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.696847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.696847 (E_RNA)
where:
Base-Base interactions energy: -593.125
where: short stacking energy: -241.657
Base-Backbone interact. energy: -1.537
local terms energy: -256.034608
where:
bonds (distance) C4'-P energy: -47.816
bonds (distance) P-C4' energy: -52.031
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -72.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -833.246844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.246844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.246844 (E_RNA)
where:
Base-Base interactions energy: -575.586
where: short stacking energy: -257.694
Base-Backbone interact. energy: 0.960
local terms energy: -258.620896
where:
bonds (distance) C4'-P energy: -42.999
bonds (distance) P-C4' energy: -44.836
flat angles C4'-P-C4' energy: -62.052
flat angles P-C4'-P energy: -38.275
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: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -765.942387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.942387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.942387 (E_RNA)
where:
Base-Base interactions energy: -526.988
where: short stacking energy: -218.041
Base-Backbone interact. energy: 0.771
local terms energy: -239.725791
where:
bonds (distance) C4'-P energy: -37.418
bonds (distance) P-C4' energy: -56.523
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -37.904
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: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -712.116306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.116306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.116306 (E_RNA)
where:
Base-Base interactions energy: -489.519
where: short stacking energy: -197.097
Base-Backbone interact. energy: 0.735
local terms energy: -223.332373
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -44.092
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -53.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -659.737260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.737260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.737260 (E_RNA)
where:
Base-Base interactions energy: -442.272
where: short stacking energy: -175.638
Base-Backbone interact. energy: -0.785
local terms energy: -216.680131
where:
bonds (distance) C4'-P energy: -41.240
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -49.443
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: -37.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -352.620881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.620881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.620881 (E_RNA)
where:
Base-Base interactions energy: -179.330
where: short stacking energy: -104.598
Base-Backbone interact. energy: -0.026
local terms energy: -173.264995
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -42.395
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -14.724
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: 470
Temperature: 1.350000
Total energy: -219.957921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.957921 (E_RNA)
where:
Base-Base interactions energy: -73.497
where: short stacking energy: -59.758
Base-Backbone interact. energy: 0.655
local terms energy: -147.115979
where:
bonds (distance) C4'-P energy: -44.273
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -36.588
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: 11.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -974.822543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.822543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.822543 (E_RNA)
where:
Base-Base interactions energy: -672.101
where: short stacking energy: -295.085
Base-Backbone interact. energy: -1.531
local terms energy: -301.189752
where:
bonds (distance) C4'-P energy: -58.134
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -63.558
flat angles P-C4'-P energy: -43.419
tors. eta vs tors. theta energy: -92.489
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: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -920.367294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.367294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.367294 (E_RNA)
where:
Base-Base interactions energy: -640.679
where: short stacking energy: -281.031
Base-Backbone interact. energy: -1.497
local terms energy: -278.191136
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -45.418
flat angles C4'-P-C4' energy: -61.210
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -81.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -850.762183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.762183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.762183 (E_RNA)
where:
Base-Base interactions energy: -586.413
where: short stacking energy: -245.646
Base-Backbone interact. energy: -0.219
local terms energy: -264.129848
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -47.993
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -41.990
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: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -864.745623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.745623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.745623 (E_RNA)
where:
Base-Base interactions energy: -594.488
where: short stacking energy: -244.442
Base-Backbone interact. energy: -2.060
local terms energy: -268.197444
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -69.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -821.603383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.603383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.603383 (E_RNA)
where:
Base-Base interactions energy: -573.832
where: short stacking energy: -238.330
Base-Backbone interact. energy: -2.016
local terms energy: -245.755195
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -54.838
flat angles C4'-P-C4' energy: -53.367
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -65.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -781.700973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.700973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.700973 (E_RNA)
where:
Base-Base interactions energy: -535.518
where: short stacking energy: -219.684
Base-Backbone interact. energy: -0.249
local terms energy: -245.934202
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -49.314
flat angles C4'-P-C4' energy: -52.100
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -66.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -778.914811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.914811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.914811 (E_RNA)
where:
Base-Base interactions energy: -523.800
where: short stacking energy: -225.871
Base-Backbone interact. energy: -0.769
local terms energy: -254.345351
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -44.964
flat angles C4'-P-C4' energy: -57.739
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -62.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -677.016538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.016538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.016538 (E_RNA)
where:
Base-Base interactions energy: -456.905
where: short stacking energy: -219.050
Base-Backbone interact. energy: -0.287
local terms energy: -219.824953
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -47.169
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -60.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -363.476112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.476112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.476112 (E_RNA)
where:
Base-Base interactions energy: -204.144
where: short stacking energy: -117.594
Base-Backbone interact. energy: -1.135
local terms energy: -158.197839
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -32.613
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -15.110
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: 471
Temperature: 1.350000
Total energy: -225.587996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.587996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.587996 (E_RNA)
where:
Base-Base interactions energy: -73.777
where: short stacking energy: -54.907
Base-Backbone interact. energy: -1.114
local terms energy: -150.697036
where:
bonds (distance) C4'-P energy: -48.073
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: 6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -971.800569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.800569 (E_RNA)
where:
Base-Base interactions energy: -667.836
where: short stacking energy: -291.417
Base-Backbone interact. energy: -0.659
local terms energy: -303.305267
where:
bonds (distance) C4'-P energy: -50.438
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -63.826
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -91.826
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: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -917.814503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.814503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.814503 (E_RNA)
where:
Base-Base interactions energy: -635.849
where: short stacking energy: -267.782
Base-Backbone interact. energy: -0.823
local terms energy: -281.142545
where:
bonds (distance) C4'-P energy: -42.644
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -40.298
tors. eta vs tors. theta energy: -76.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -867.953628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.953628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.953628 (E_RNA)
where:
Base-Base interactions energy: -602.005
where: short stacking energy: -262.419
Base-Backbone interact. energy: -1.606
local terms energy: -264.342836
where:
bonds (distance) C4'-P energy: -40.835
bonds (distance) P-C4' energy: -56.057
flat angles C4'-P-C4' energy: -57.828
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -73.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -837.781078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.781078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.781078 (E_RNA)
where:
Base-Base interactions energy: -569.084
where: short stacking energy: -256.673
Base-Backbone interact. energy: -0.768
local terms energy: -267.929056
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -42.236
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -47.135
tors. eta vs tors. theta energy: -70.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -805.389854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.389854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.389854 (E_RNA)
where:
Base-Base interactions energy: -549.530
where: short stacking energy: -246.177
Base-Backbone interact. energy: -0.583
local terms energy: -255.277465
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: -75.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -778.114575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.114575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.114575 (E_RNA)
where:
Base-Base interactions energy: -544.545
where: short stacking energy: -234.560
Base-Backbone interact. energy: -0.656
local terms energy: -232.913869
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -42.215
flat angles C4'-P-C4' energy: -53.799
flat angles P-C4'-P energy: -40.262
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -759.097278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.097278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.097278 (E_RNA)
where:
Base-Base interactions energy: -521.754
where: short stacking energy: -234.063
Base-Backbone interact. energy: -0.798
local terms energy: -236.545102
where:
bonds (distance) C4'-P energy: -45.787
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -54.848
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -57.829
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: 472
Temperature: 1.250000
Total energy: -642.351605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.351605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.351605 (E_RNA)
where:
Base-Base interactions energy: -424.374
where: short stacking energy: -195.810
Base-Backbone interact. energy: 0.925
local terms energy: -218.902233
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -41.197
flat angles C4'-P-C4' energy: -51.803
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -56.874
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: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -354.878452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.878452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.878452 (E_RNA)
where:
Base-Base interactions energy: -173.017
where: short stacking energy: -100.914
Base-Backbone interact. energy: -1.773
local terms energy: -180.088395
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -22.853
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: 472
Temperature: 1.350000
Total energy: -215.399466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.399466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.399466 (E_RNA)
where:
Base-Base interactions energy: -87.166
where: short stacking energy: -67.377
Base-Backbone interact. energy: -1.227
local terms energy: -127.006836
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -37.826
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -19.722
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: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -969.047479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.047479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.047479 (E_RNA)
where:
Base-Base interactions energy: -670.158
where: short stacking energy: -276.889
Base-Backbone interact. energy: 0.174
local terms energy: -299.063696
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -58.262
flat angles C4'-P-C4' energy: -62.408
flat angles P-C4'-P energy: -40.738
tors. eta vs tors. theta energy: -84.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -940.198244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.198244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.198244 (E_RNA)
where:
Base-Base interactions energy: -655.463
where: short stacking energy: -283.412
Base-Backbone interact. energy: -0.318
local terms energy: -284.417568
where:
bonds (distance) C4'-P energy: -52.903
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -59.995
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -83.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -863.665663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.665663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.665663 (E_RNA)
where:
Base-Base interactions energy: -605.012
where: short stacking energy: -257.884
Base-Backbone interact. energy: 3.846
local terms energy: -262.499545
where:
bonds (distance) C4'-P energy: -44.336
bonds (distance) P-C4' energy: -55.340
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -69.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -844.528340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.528340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.528340 (E_RNA)
where:
Base-Base interactions energy: -584.344
where: short stacking energy: -259.286
Base-Backbone interact. energy: -0.344
local terms energy: -259.840428
where:
bonds (distance) C4'-P energy: -37.267
bonds (distance) P-C4' energy: -51.968
flat angles C4'-P-C4' energy: -50.845
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -77.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -816.337265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.337265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.337265 (E_RNA)
where:
Base-Base interactions energy: -571.567
where: short stacking energy: -246.292
Base-Backbone interact. energy: -0.320
local terms energy: -244.450431
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -62.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -754.723109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.723109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.723109 (E_RNA)
where:
Base-Base interactions energy: -522.858
where: short stacking energy: -218.177
Base-Backbone interact. energy: -1.474
local terms energy: -230.390960
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -43.813
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -50.795
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: 473
Temperature: 1.200000
Total energy: -758.701329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.701329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.701329 (E_RNA)
where:
Base-Base interactions energy: -509.575
where: short stacking energy: -199.498
Base-Backbone interact. energy: -1.928
local terms energy: -247.197923
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -57.024
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -58.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -674.606930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.606930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.606930 (E_RNA)
where:
Base-Base interactions energy: -437.830
where: short stacking energy: -209.341
Base-Backbone interact. energy: -0.412
local terms energy: -236.365036
where:
bonds (distance) C4'-P energy: -50.323
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -64.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -363.402001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.402001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.402001 (E_RNA)
where:
Base-Base interactions energy: -201.609
where: short stacking energy: -117.390
Base-Backbone interact. energy: 0.025
local terms energy: -161.818294
where:
bonds (distance) C4'-P energy: -40.025
bonds (distance) P-C4' energy: -51.914
flat angles C4'-P-C4' energy: -37.429
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -7.076
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: 473
Temperature: 1.350000
Total energy: -239.818866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.818866 (E_RNA)
where:
Base-Base interactions energy: -98.913
where: short stacking energy: -83.334
Base-Backbone interact. energy: 0.901
local terms energy: -141.807321
where:
bonds (distance) C4'-P energy: -40.835
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -967.024346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.024346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.024346 (E_RNA)
where:
Base-Base interactions energy: -664.715
where: short stacking energy: -288.405
Base-Backbone interact. energy: 0.994
local terms energy: -303.303604
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -49.118
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -88.045
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: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -936.639229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.639229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.639229 (E_RNA)
where:
Base-Base interactions energy: -655.750
where: short stacking energy: -277.575
Base-Backbone interact. energy: -0.613
local terms energy: -280.276010
where:
bonds (distance) C4'-P energy: -44.810
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -86.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -855.440952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.440952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.440952 (E_RNA)
where:
Base-Base interactions energy: -591.656
where: short stacking energy: -256.630
Base-Backbone interact. energy: -0.394
local terms energy: -263.390804
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -47.843
flat angles C4'-P-C4' energy: -55.493
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -67.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -832.203330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.203330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.203330 (E_RNA)
where:
Base-Base interactions energy: -566.363
where: short stacking energy: -237.081
Base-Backbone interact. energy: -0.641
local terms energy: -265.199494
where:
bonds (distance) C4'-P energy: -43.215
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -41.987
tors. eta vs tors. theta energy: -71.831
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: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -804.586426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.586426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.586426 (E_RNA)
where:
Base-Base interactions energy: -557.255
where: short stacking energy: -238.966
Base-Backbone interact. energy: -0.499
local terms energy: -246.832502
where:
bonds (distance) C4'-P energy: -42.730
bonds (distance) P-C4' energy: -48.899
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -64.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -754.238007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.238007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.238007 (E_RNA)
where:
Base-Base interactions energy: -509.052
where: short stacking energy: -220.465
Base-Backbone interact. energy: -2.022
local terms energy: -243.164085
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -44.185
flat angles C4'-P-C4' energy: -55.846
flat angles P-C4'-P energy: -35.700
tors. eta vs tors. theta energy: -54.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -741.117637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.117637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.117637 (E_RNA)
where:
Base-Base interactions energy: -509.764
where: short stacking energy: -205.774
Base-Backbone interact. energy: -0.639
local terms energy: -230.715380
where:
bonds (distance) C4'-P energy: -39.255
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -45.777
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -60.935
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: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -702.750027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.750027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.750027 (E_RNA)
where:
Base-Base interactions energy: -466.061
where: short stacking energy: -205.241
Base-Backbone interact. energy: -1.182
local terms energy: -235.506867
where:
bonds (distance) C4'-P energy: -46.690
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -56.628
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -65.368
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: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -370.447336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.447336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.447336 (E_RNA)
where:
Base-Base interactions energy: -188.768
where: short stacking energy: -111.410
Base-Backbone interact. energy: -1.257
local terms energy: -180.422973
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -45.307
flat angles P-C4'-P energy: -25.188
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -219.510054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.510054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.510054 (E_RNA)
where:
Base-Base interactions energy: -84.114
where: short stacking energy: -75.646
Base-Backbone interact. energy: 0.789
local terms energy: -136.185002
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -42.482
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -25.059
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: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -971.753063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.753063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.753063 (E_RNA)
where:
Base-Base interactions energy: -664.833
where: short stacking energy: -286.767
Base-Backbone interact. energy: -0.873
local terms energy: -306.047894
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -64.331
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -90.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -924.426983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.426983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.426983 (E_RNA)
where:
Base-Base interactions energy: -646.124
where: short stacking energy: -283.519
Base-Backbone interact. energy: -0.735
local terms energy: -277.567611
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -79.462
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: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -865.232377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.232377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.232377 (E_RNA)
where:
Base-Base interactions energy: -599.323
where: short stacking energy: -252.117
Base-Backbone interact. energy: -0.529
local terms energy: -265.380407
where:
bonds (distance) C4'-P energy: -51.973
bonds (distance) P-C4' energy: -53.276
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -43.364
tors. eta vs tors. theta energy: -67.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -831.882346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.882346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.882346 (E_RNA)
where:
Base-Base interactions energy: -564.081
where: short stacking energy: -235.036
Base-Backbone interact. energy: -0.814
local terms energy: -266.986572
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -52.429
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -73.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -804.299364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.299364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.299364 (E_RNA)
where:
Base-Base interactions energy: -546.014
where: short stacking energy: -228.587
Base-Backbone interact. energy: -1.637
local terms energy: -256.648761
where:
bonds (distance) C4'-P energy: -43.913
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -60.116
flat angles P-C4'-P energy: -39.457
tors. eta vs tors. theta energy: -58.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -754.916903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.916903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.916903 (E_RNA)
where:
Base-Base interactions energy: -506.751
where: short stacking energy: -212.887
Base-Backbone interact. energy: -1.230
local terms energy: -246.936281
where:
bonds (distance) C4'-P energy: -47.066
bonds (distance) P-C4' energy: -47.530
flat angles C4'-P-C4' energy: -60.009
flat angles P-C4'-P energy: -32.219
tors. eta vs tors. theta energy: -60.112
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: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -737.915477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.915477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.915477 (E_RNA)
where:
Base-Base interactions energy: -506.405
where: short stacking energy: -219.674
Base-Backbone interact. energy: -1.403
local terms energy: -230.107190
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -48.172
flat angles C4'-P-C4' energy: -50.724
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -55.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -716.965854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.965854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.965854 (E_RNA)
where:
Base-Base interactions energy: -489.582
where: short stacking energy: -203.772
Base-Backbone interact. energy: 2.616
local terms energy: -229.999119
where:
bonds (distance) C4'-P energy: -39.795
bonds (distance) P-C4' energy: -48.032
flat angles C4'-P-C4' energy: -53.241
flat angles P-C4'-P energy: -24.458
tors. eta vs tors. theta energy: -64.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -345.433682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.433682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.433682 (E_RNA)
where:
Base-Base interactions energy: -180.718
where: short stacking energy: -103.809
Base-Backbone interact. energy: -1.010
local terms energy: -163.705628
where:
bonds (distance) C4'-P energy: -34.418
bonds (distance) P-C4' energy: -42.256
flat angles C4'-P-C4' energy: -48.171
flat angles P-C4'-P energy: -30.581
tors. eta vs tors. theta energy: -8.280
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -230.477134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.477134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.477134 (E_RNA)
where:
Base-Base interactions energy: -79.911
where: short stacking energy: -61.296
Base-Backbone interact. energy: 1.784
local terms energy: -152.350447
where:
bonds (distance) C4'-P energy: -52.789
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -33.496
tors. eta vs tors. theta energy: 6.421
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: 476
Temperature: 0.900000
Total energy: -957.579246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.579246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.579246 (E_RNA)
where:
Base-Base interactions energy: -685.867
where: short stacking energy: -277.294
Base-Backbone interact. energy: -0.233
local terms energy: -271.479624
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -38.441
tors. eta vs tors. theta energy: -81.643
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: 476
Temperature: 0.950000
Total energy: -943.842946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.842946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.842946 (E_RNA)
where:
Base-Base interactions energy: -664.088
where: short stacking energy: -289.177
Base-Backbone interact. energy: -1.269
local terms energy: -278.485471
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -53.627
flat angles C4'-P-C4' energy: -59.110
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -86.572
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: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -865.707782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.707782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.707782 (E_RNA)
where:
Base-Base interactions energy: -584.374
where: short stacking energy: -251.487
Base-Backbone interact. energy: -0.116
local terms energy: -281.217505
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -60.090
flat angles C4'-P-C4' energy: -67.400
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -68.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -841.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.046498 (E_RNA)
where:
Base-Base interactions energy: -583.950
where: short stacking energy: -242.683
Base-Backbone interact. energy: 2.187
local terms energy: -259.283006
where:
bonds (distance) C4'-P energy: -48.066
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -54.877
flat angles P-C4'-P energy: -38.025
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: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -765.577794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.577794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.577794 (E_RNA)
where:
Base-Base interactions energy: -518.870
where: short stacking energy: -223.643
Base-Backbone interact. energy: 2.120
local terms energy: -248.828428
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -63.304
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: -58.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -744.413660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.413660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.413660 (E_RNA)
where:
Base-Base interactions energy: -492.949
where: short stacking energy: -220.176
Base-Backbone interact. energy: -1.088
local terms energy: -250.376153
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -58.019
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -62.126
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: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -750.922969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.922969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.922969 (E_RNA)
where:
Base-Base interactions energy: -510.874
where: short stacking energy: -227.526
Base-Backbone interact. energy: -0.080
local terms energy: -239.968391
where:
bonds (distance) C4'-P energy: -39.837
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -61.465
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: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -674.675621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.675621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.675621 (E_RNA)
where:
Base-Base interactions energy: -472.113
where: short stacking energy: -196.550
Base-Backbone interact. energy: -1.346
local terms energy: -201.216799
where:
bonds (distance) C4'-P energy: -41.115
bonds (distance) P-C4' energy: -35.605
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -57.918
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: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -349.806256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.806256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.806256 (E_RNA)
where:
Base-Base interactions energy: -167.130
where: short stacking energy: -94.683
Base-Backbone interact. energy: -2.643
local terms energy: -180.032773
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: -11.997
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: 476
Temperature: 1.350000
Total energy: -233.419076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419076 (E_RNA)
where:
Base-Base interactions energy: -71.743
where: short stacking energy: -65.773
Base-Backbone interact. energy: -1.487
local terms energy: -160.188729
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -45.597
flat angles C4'-P-C4' energy: -45.477
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -0.616
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: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -978.152216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.152216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.152216 (E_RNA)
where:
Base-Base interactions energy: -682.180
where: short stacking energy: -302.464
Base-Backbone interact. energy: -0.019
local terms energy: -295.953481
where:
bonds (distance) C4'-P energy: -60.953
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -58.209
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: -88.197
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -938.498365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.498365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.498365 (E_RNA)
where:
Base-Base interactions energy: -657.121
where: short stacking energy: -265.978
Base-Backbone interact. energy: -0.777
local terms energy: -280.600868
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -51.592
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -82.383
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: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -870.642589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.642589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.642589 (E_RNA)
where:
Base-Base interactions energy: -606.951
where: short stacking energy: -261.163
Base-Backbone interact. energy: -2.344
local terms energy: -261.347354
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -34.559
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: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -852.390040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.390040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.390040 (E_RNA)
where:
Base-Base interactions energy: -585.838
where: short stacking energy: -240.456
Base-Backbone interact. energy: -1.470
local terms energy: -265.081817
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -61.031
flat angles P-C4'-P energy: -40.398
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: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -776.813410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.813410 (E_RNA)
where:
Base-Base interactions energy: -538.954
where: short stacking energy: -222.824
Base-Backbone interact. energy: -1.234
local terms energy: -236.625557
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -53.881
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -66.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -740.910252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.910252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.910252 (E_RNA)
where:
Base-Base interactions energy: -501.549
where: short stacking energy: -218.023
Base-Backbone interact. energy: 0.616
local terms energy: -239.976875
where:
bonds (distance) C4'-P energy: -41.303
bonds (distance) P-C4' energy: -50.670
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: -54.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -743.826132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.826132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.826132 (E_RNA)
where:
Base-Base interactions energy: -499.471
where: short stacking energy: -216.127
Base-Backbone interact. energy: -0.274
local terms energy: -244.080927
where:
bonds (distance) C4'-P energy: -44.412
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -35.258
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: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -668.867343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.867343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.867343 (E_RNA)
where:
Base-Base interactions energy: -452.221
where: short stacking energy: -202.183
Base-Backbone interact. energy: -0.454
local terms energy: -216.193005
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -52.032
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -51.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -353.488157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.488157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.488157 (E_RNA)
where:
Base-Base interactions energy: -170.764
where: short stacking energy: -97.281
Base-Backbone interact. energy: -0.472
local terms energy: -182.251892
where:
bonds (distance) C4'-P energy: -51.805
bonds (distance) P-C4' energy: -61.265
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -21.704
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -228.022954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.022954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.022954 (E_RNA)
where:
Base-Base interactions energy: -80.536
where: short stacking energy: -75.422
Base-Backbone interact. energy: 1.499
local terms energy: -148.985225
where:
bonds (distance) C4'-P energy: -38.191
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -48.040
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -970.444831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.444831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.444831 (E_RNA)
where:
Base-Base interactions energy: -669.435
where: short stacking energy: -278.825
Base-Backbone interact. energy: -0.783
local terms energy: -300.226414
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -57.903
flat angles C4'-P-C4' energy: -56.247
flat angles P-C4'-P energy: -48.478
tors. eta vs tors. theta energy: -83.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -943.902137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.902137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.902137 (E_RNA)
where:
Base-Base interactions energy: -646.135
where: short stacking energy: -282.359
Base-Backbone interact. energy: 0.471
local terms energy: -298.237655
where:
bonds (distance) C4'-P energy: -52.947
bonds (distance) P-C4' energy: -53.639
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -45.112
tors. eta vs tors. theta energy: -92.719
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -919.253536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.253536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.253536 (E_RNA)
where:
Base-Base interactions energy: -636.355
where: short stacking energy: -254.311
Base-Backbone interact. energy: -0.991
local terms energy: -281.907195
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -73.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -846.195804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.195804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.195804 (E_RNA)
where:
Base-Base interactions energy: -577.075
where: short stacking energy: -267.173
Base-Backbone interact. energy: -1.123
local terms energy: -267.997475
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -45.058
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -77.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -800.706130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.706130 (E_RNA)
where:
Base-Base interactions energy: -544.505
where: short stacking energy: -239.267
Base-Backbone interact. energy: 2.995
local terms energy: -259.195706
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -43.187
flat angles C4'-P-C4' energy: -58.408
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -59.083
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: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -796.130164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.130164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.130164 (E_RNA)
where:
Base-Base interactions energy: -534.731
where: short stacking energy: -216.394
Base-Backbone interact. energy: -2.310
local terms energy: -259.089093
where:
bonds (distance) C4'-P energy: -42.470
bonds (distance) P-C4' energy: -51.063
flat angles C4'-P-C4' energy: -58.873
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -69.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -736.820957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.820957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.820957 (E_RNA)
where:
Base-Base interactions energy: -496.559
where: short stacking energy: -222.269
Base-Backbone interact. energy: 3.536
local terms energy: -243.797965
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -60.302
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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -640.868120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.868120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.868120 (E_RNA)
where:
Base-Base interactions energy: -422.655
where: short stacking energy: -177.575
Base-Backbone interact. energy: -0.678
local terms energy: -217.534977
where:
bonds (distance) C4'-P energy: -53.409
bonds (distance) P-C4' energy: -38.636
flat angles C4'-P-C4' energy: -49.536
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -44.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -239.821631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.821631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.821631 (E_RNA)
where:
Base-Base interactions energy: -76.798
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.378
local terms energy: -162.645305
where:
bonds (distance) C4'-P energy: -38.353
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -240.462104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.462104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.462104 (E_RNA)
where:
Base-Base interactions energy: -116.671
where: short stacking energy: -79.392
Base-Backbone interact. energy: 2.915
local terms energy: -126.705572
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -45.718
flat angles C4'-P-C4' energy: -41.106
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: 8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -953.991122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.991122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.991122 (E_RNA)
where:
Base-Base interactions energy: -669.268
where: short stacking energy: -274.351
Base-Backbone interact. energy: -1.818
local terms energy: -282.904924
where:
bonds (distance) C4'-P energy: -53.633
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -47.590
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: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -964.371930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.371930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.371930 (E_RNA)
where:
Base-Base interactions energy: -664.625
where: short stacking energy: -286.747
Base-Backbone interact. energy: -1.355
local terms energy: -298.392551
where:
bonds (distance) C4'-P energy: -53.644
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -59.940
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -91.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -890.581288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.581288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.581288 (E_RNA)
where:
Base-Base interactions energy: -629.037
where: short stacking energy: -243.212
Base-Backbone interact. energy: -2.065
local terms energy: -259.479564
where:
bonds (distance) C4'-P energy: -56.300
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -50.650
flat angles P-C4'-P energy: -43.235
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: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -835.866243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.866243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.866243 (E_RNA)
where:
Base-Base interactions energy: -555.137
where: short stacking energy: -267.069
Base-Backbone interact. energy: -0.276
local terms energy: -280.453262
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -37.614
tors. eta vs tors. theta energy: -84.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -795.702089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.702089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.702089 (E_RNA)
where:
Base-Base interactions energy: -553.321
where: short stacking energy: -230.449
Base-Backbone interact. energy: -0.285
local terms energy: -242.095735
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -35.129
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -815.581008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.581008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.581008 (E_RNA)
where:
Base-Base interactions energy: -574.172
where: short stacking energy: -234.674
Base-Backbone interact. energy: -1.609
local terms energy: -239.799930
where:
bonds (distance) C4'-P energy: -48.255
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -52.086
flat angles P-C4'-P energy: -32.322
tors. eta vs tors. theta energy: -63.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -760.859745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.859745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.859745 (E_RNA)
where:
Base-Base interactions energy: -522.805
where: short stacking energy: -215.905
Base-Backbone interact. energy: -0.531
local terms energy: -237.523004
where:
bonds (distance) C4'-P energy: -45.641
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -33.728
tors. eta vs tors. theta energy: -57.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -674.645887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.645887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.645887 (E_RNA)
where:
Base-Base interactions energy: -441.094
where: short stacking energy: -195.386
Base-Backbone interact. energy: -0.322
local terms energy: -233.230582
where:
bonds (distance) C4'-P energy: -39.289
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -48.110
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -237.332433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.332433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.332433 (E_RNA)
where:
Base-Base interactions energy: -81.392
where: short stacking energy: -79.097
Base-Backbone interact. energy: 0.655
local terms energy: -156.595282
where:
bonds (distance) C4'-P energy: -46.996
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: 5.177
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: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -345.980981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.980981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.980981 (E_RNA)
where:
Base-Base interactions energy: -186.334
where: short stacking energy: -113.115
Base-Backbone interact. energy: -1.879
local terms energy: -157.768111
where:
bonds (distance) C4'-P energy: -46.557
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -978.965633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.965633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.965633 (E_RNA)
where:
Base-Base interactions energy: -677.472
where: short stacking energy: -300.705
Base-Backbone interact. energy: 0.553
local terms energy: -302.046787
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -64.222
flat angles P-C4'-P energy: -43.953
tors. eta vs tors. theta energy: -89.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -957.710708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.710708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.710708 (E_RNA)
where:
Base-Base interactions energy: -663.905
where: short stacking energy: -275.247
Base-Backbone interact. energy: -1.422
local terms energy: -292.383840
where:
bonds (distance) C4'-P energy: -55.415
bonds (distance) P-C4' energy: -50.476
flat angles C4'-P-C4' energy: -60.566
flat angles P-C4'-P energy: -41.676
tors. eta vs tors. theta energy: -84.251
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: 480
Temperature: 1.000000
Total energy: -867.002942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.002942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.002942 (E_RNA)
where:
Base-Base interactions energy: -590.384
where: short stacking energy: -246.897
Base-Backbone interact. energy: 1.396
local terms energy: -278.015816
where:
bonds (distance) C4'-P energy: -51.142
bonds (distance) P-C4' energy: -56.275
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -41.794
tors. eta vs tors. theta energy: -67.604
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: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -838.467949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.467949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.467949 (E_RNA)
where:
Base-Base interactions energy: -590.560
where: short stacking energy: -233.361
Base-Backbone interact. energy: -1.886
local terms energy: -246.021745
where:
bonds (distance) C4'-P energy: -42.218
bonds (distance) P-C4' energy: -47.103
flat angles C4'-P-C4' energy: -53.359
flat angles P-C4'-P energy: -41.758
tors. eta vs tors. theta energy: -61.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -803.612819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.612819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.612819 (E_RNA)
where:
Base-Base interactions energy: -552.292
where: short stacking energy: -235.216
Base-Backbone interact. energy: 0.166
local terms energy: -251.486301
where:
bonds (distance) C4'-P energy: -51.139
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -46.746
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -68.250
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: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -828.094787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.094787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.094787 (E_RNA)
where:
Base-Base interactions energy: -557.393
where: short stacking energy: -249.021
Base-Backbone interact. energy: -0.731
local terms energy: -269.971213
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -56.754
flat angles P-C4'-P energy: -41.570
tors. eta vs tors. theta energy: -80.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -734.417328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.417328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.417328 (E_RNA)
where:
Base-Base interactions energy: -504.803
where: short stacking energy: -207.926
Base-Backbone interact. energy: -0.509
local terms energy: -229.105326
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -52.280
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -54.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -678.105836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.105836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.105836 (E_RNA)
where:
Base-Base interactions energy: -460.203
where: short stacking energy: -202.034
Base-Backbone interact. energy: -0.273
local terms energy: -217.630094
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -36.787
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -32.661
tors. eta vs tors. theta energy: -56.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -357.572239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.572239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.572239 (E_RNA)
where:
Base-Base interactions energy: -184.461
where: short stacking energy: -99.234
Base-Backbone interact. energy: -1.413
local terms energy: -171.698195
where:
bonds (distance) C4'-P energy: -43.779
bonds (distance) P-C4' energy: -51.540
flat angles C4'-P-C4' energy: -45.856
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -12.693
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: 480
Temperature: 1.350000
Total energy: -240.648275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.648275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.648275 (E_RNA)
where:
Base-Base interactions energy: -71.148
where: short stacking energy: -59.635
Base-Backbone interact. energy: -1.356
local terms energy: -168.144262
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -43.538
flat angles C4'-P-C4' energy: -49.956
flat angles P-C4'-P energy: -27.984
tors. eta vs tors. theta energy: 1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -969.545360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.545360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.545360 (E_RNA)
where:
Base-Base interactions energy: -672.395
where: short stacking energy: -289.566
Base-Backbone interact. energy: -0.416
local terms energy: -296.734365
where:
bonds (distance) C4'-P energy: -54.159
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -55.854
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: -90.197
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: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -944.031867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.031867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.031867 (E_RNA)
where:
Base-Base interactions energy: -645.448
where: short stacking energy: -276.219
Base-Backbone interact. energy: -2.260
local terms energy: -296.323150
where:
bonds (distance) C4'-P energy: -56.779
bonds (distance) P-C4' energy: -56.876
flat angles C4'-P-C4' energy: -57.798
flat angles P-C4'-P energy: -37.437
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: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -895.749017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.749017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.749017 (E_RNA)
where:
Base-Base interactions energy: -630.655
where: short stacking energy: -259.537
Base-Backbone interact. energy: -0.061
local terms energy: -265.033213
where:
bonds (distance) C4'-P energy: -53.104
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -70.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -838.898371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.898371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.898371 (E_RNA)
where:
Base-Base interactions energy: -590.863
where: short stacking energy: -247.645
Base-Backbone interact. energy: -1.329
local terms energy: -246.706559
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -41.318
flat angles C4'-P-C4' energy: -59.104
flat angles P-C4'-P energy: -27.125
tors. eta vs tors. theta energy: -72.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -799.294044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.294044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.294044 (E_RNA)
where:
Base-Base interactions energy: -546.218
where: short stacking energy: -252.209
Base-Backbone interact. energy: -0.854
local terms energy: -252.222470
where:
bonds (distance) C4'-P energy: -45.929
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -55.146
flat angles P-C4'-P energy: -34.476
tors. eta vs tors. theta energy: -71.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -773.488349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.488349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.488349 (E_RNA)
where:
Base-Base interactions energy: -532.111
where: short stacking energy: -237.396
Base-Backbone interact. energy: -0.291
local terms energy: -241.086019
where:
bonds (distance) C4'-P energy: -44.227
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -71.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -765.928760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.928760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.928760 (E_RNA)
where:
Base-Base interactions energy: -515.227
where: short stacking energy: -211.056
Base-Backbone interact. energy: -0.402
local terms energy: -250.299420
where:
bonds (distance) C4'-P energy: -46.804
bonds (distance) P-C4' energy: -42.499
flat angles C4'-P-C4' energy: -49.915
flat angles P-C4'-P energy: -45.926
tors. eta vs tors. theta energy: -65.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -704.713759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.713759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.713759 (E_RNA)
where:
Base-Base interactions energy: -460.485
where: short stacking energy: -196.274
Base-Backbone interact. energy: -0.558
local terms energy: -243.671355
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -49.546
flat angles C4'-P-C4' energy: -50.437
flat angles P-C4'-P energy: -36.436
tors. eta vs tors. theta energy: -59.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -338.376515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.376515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.376515 (E_RNA)
where:
Base-Base interactions energy: -166.925
where: short stacking energy: -95.335
Base-Backbone interact. energy: -0.905
local terms energy: -170.546636
where:
bonds (distance) C4'-P energy: -47.799
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -221.480609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.480609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.480609 (E_RNA)
where:
Base-Base interactions energy: -75.164
where: short stacking energy: -46.186
Base-Backbone interact. energy: -1.210
local terms energy: -145.107151
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -48.096
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: 7.152
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: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -963.303180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.303180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.303180 (E_RNA)
where:
Base-Base interactions energy: -665.945
where: short stacking energy: -282.861
Base-Backbone interact. energy: -1.062
local terms energy: -296.296217
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -56.807
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -44.464
tors. eta vs tors. theta energy: -86.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -961.328593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.328593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.328593 (E_RNA)
where:
Base-Base interactions energy: -666.880
where: short stacking energy: -280.816
Base-Backbone interact. energy: -1.493
local terms energy: -292.955457
where:
bonds (distance) C4'-P energy: -47.475
bonds (distance) P-C4' energy: -51.932
flat angles C4'-P-C4' energy: -59.359
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -87.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -899.899234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.899234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.899234 (E_RNA)
where:
Base-Base interactions energy: -636.183
where: short stacking energy: -269.292
Base-Backbone interact. energy: -1.263
local terms energy: -262.452953
where:
bonds (distance) C4'-P energy: -43.797
bonds (distance) P-C4' energy: -46.211
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -74.053
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: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -859.048759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.048759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.048759 (E_RNA)
where:
Base-Base interactions energy: -602.056
where: short stacking energy: -268.367
Base-Backbone interact. energy: -0.748
local terms energy: -256.245338
where:
bonds (distance) C4'-P energy: -37.496
bonds (distance) P-C4' energy: -43.092
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -72.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -808.547817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.547817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.547817 (E_RNA)
where:
Base-Base interactions energy: -578.665
where: short stacking energy: -267.549
Base-Backbone interact. energy: -0.366
local terms energy: -229.516294
where:
bonds (distance) C4'-P energy: -34.161
bonds (distance) P-C4' energy: -41.293
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -33.156
tors. eta vs tors. theta energy: -73.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -755.885109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.885109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.885109 (E_RNA)
where:
Base-Base interactions energy: -504.057
where: short stacking energy: -223.222
Base-Backbone interact. energy: -0.955
local terms energy: -250.873771
where:
bonds (distance) C4'-P energy: -55.230
bonds (distance) P-C4' energy: -46.868
flat angles C4'-P-C4' energy: -52.520
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -63.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -760.476465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.476465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.476465 (E_RNA)
where:
Base-Base interactions energy: -517.302
where: short stacking energy: -219.531
Base-Backbone interact. energy: -0.130
local terms energy: -243.044183
where:
bonds (distance) C4'-P energy: -49.815
bonds (distance) P-C4' energy: -49.923
flat angles C4'-P-C4' energy: -42.859
flat angles P-C4'-P energy: -40.457
tors. eta vs tors. theta energy: -59.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -655.993456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.993456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.993456 (E_RNA)
where:
Base-Base interactions energy: -422.490
where: short stacking energy: -174.524
Base-Backbone interact. energy: -0.434
local terms energy: -233.069154
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -31.910
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: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -318.429222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.429222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.429222 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -83.152
Base-Backbone interact. energy: -0.543
local terms energy: -174.679121
where:
bonds (distance) C4'-P energy: -45.876
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -40.774
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -10.998
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: 482
Temperature: 1.350000
Total energy: -225.151183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.151183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.151183 (E_RNA)
where:
Base-Base interactions energy: -92.086
where: short stacking energy: -74.663
Base-Backbone interact. energy: 2.237
local terms energy: -135.302447
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -46.735
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: 3.327
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: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -961.430409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.430409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.430409 (E_RNA)
where:
Base-Base interactions energy: -663.418
where: short stacking energy: -292.160
Base-Backbone interact. energy: -2.189
local terms energy: -295.823770
where:
bonds (distance) C4'-P energy: -51.691
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -57.149
flat angles P-C4'-P energy: -46.745
tors. eta vs tors. theta energy: -88.131
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: 483
Temperature: 0.950000
Total energy: -947.542181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.542181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.542181 (E_RNA)
where:
Base-Base interactions energy: -649.422
where: short stacking energy: -272.770
Base-Backbone interact. energy: -0.599
local terms energy: -297.521133
where:
bonds (distance) C4'-P energy: -60.451
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -86.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -910.286044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.286044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.286044 (E_RNA)
where:
Base-Base interactions energy: -615.884
where: short stacking energy: -264.112
Base-Backbone interact. energy: -1.327
local terms energy: -293.074899
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -44.291
tors. eta vs tors. theta energy: -76.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -809.232454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.232454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.232454 (E_RNA)
where:
Base-Base interactions energy: -556.620
where: short stacking energy: -239.226
Base-Backbone interact. energy: -0.579
local terms energy: -252.034021
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -53.224
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: -65.431
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: 483
Temperature: 1.100000
Total energy: -827.506436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.506436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.506436 (E_RNA)
where:
Base-Base interactions energy: -558.965
where: short stacking energy: -226.844
Base-Backbone interact. energy: -0.482
local terms energy: -268.059141
where:
bonds (distance) C4'-P energy: -55.411
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -64.625
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -62.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -751.935240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.935240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.935240 (E_RNA)
where:
Base-Base interactions energy: -515.561
where: short stacking energy: -209.936
Base-Backbone interact. energy: -1.129
local terms energy: -235.245433
where:
bonds (distance) C4'-P energy: -51.237
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -48.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -751.175344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.175344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.175344 (E_RNA)
where:
Base-Base interactions energy: -510.242
where: short stacking energy: -209.568
Base-Backbone interact. energy: -1.446
local terms energy: -239.487676
where:
bonds (distance) C4'-P energy: -48.862
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -56.845
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: -59.696
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: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -678.323139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.323139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.323139 (E_RNA)
where:
Base-Base interactions energy: -437.101
where: short stacking energy: -195.242
Base-Backbone interact. energy: -0.816
local terms energy: -240.406359
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -58.792
flat angles P-C4'-P energy: -33.806
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -316.299894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.299894 (E_RNA)
where:
Base-Base interactions energy: -145.615
where: short stacking energy: -90.077
Base-Backbone interact. energy: -1.262
local terms energy: -169.422834
where:
bonds (distance) C4'-P energy: -41.342
bonds (distance) P-C4' energy: -50.088
flat angles C4'-P-C4' energy: -42.064
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -9.227
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: 483
Temperature: 1.350000
Total energy: -220.483629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.483629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.483629 (E_RNA)
where:
Base-Base interactions energy: -76.551
where: short stacking energy: -69.509
Base-Backbone interact. energy: -1.020
local terms energy: -142.912203
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -45.577
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: 9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -970.479523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.479523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.479523 (E_RNA)
where:
Base-Base interactions energy: -660.488
where: short stacking energy: -292.398
Base-Backbone interact. energy: -1.296
local terms energy: -308.695644
where:
bonds (distance) C4'-P energy: -50.959
bonds (distance) P-C4' energy: -56.137
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: -92.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -956.937065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.937065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.937065 (E_RNA)
where:
Base-Base interactions energy: -658.282
where: short stacking energy: -275.751
Base-Backbone interact. energy: -2.551
local terms energy: -296.104161
where:
bonds (distance) C4'-P energy: -58.500
bonds (distance) P-C4' energy: -60.556
flat angles C4'-P-C4' energy: -51.655
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -92.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -893.378200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.378200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.378200 (E_RNA)
where:
Base-Base interactions energy: -619.326
where: short stacking energy: -275.590
Base-Backbone interact. energy: 0.515
local terms energy: -274.566542
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -83.503
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: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -806.653610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.653610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.653610 (E_RNA)
where:
Base-Base interactions energy: -548.373
where: short stacking energy: -244.929
Base-Backbone interact. energy: 0.131
local terms energy: -258.412396
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -46.223
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -64.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -835.651182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.651182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.651182 (E_RNA)
where:
Base-Base interactions energy: -577.415
where: short stacking energy: -241.962
Base-Backbone interact. energy: -0.859
local terms energy: -257.377921
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -44.929
flat angles C4'-P-C4' energy: -53.694
flat angles P-C4'-P energy: -39.539
tors. eta vs tors. theta energy: -66.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -769.960684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.960684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.960684 (E_RNA)
where:
Base-Base interactions energy: -518.896
where: short stacking energy: -222.915
Base-Backbone interact. energy: 1.681
local terms energy: -252.745876
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -53.177
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -68.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -780.797220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.797220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.797220 (E_RNA)
where:
Base-Base interactions energy: -526.024
where: short stacking energy: -223.631
Base-Backbone interact. energy: -0.422
local terms energy: -254.351471
where:
bonds (distance) C4'-P energy: -47.601
bonds (distance) P-C4' energy: -54.715
flat angles C4'-P-C4' energy: -49.665
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -68.345
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: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -709.028643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.028643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.028643 (E_RNA)
where:
Base-Base interactions energy: -468.541
where: short stacking energy: -213.281
Base-Backbone interact. energy: -0.194
local terms energy: -240.293502
where:
bonds (distance) C4'-P energy: -34.239
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -50.541
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -67.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -310.864451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.864451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.864451 (E_RNA)
where:
Base-Base interactions energy: -144.973
where: short stacking energy: -79.483
Base-Backbone interact. energy: -1.435
local terms energy: -164.456684
where:
bonds (distance) C4'-P energy: -54.918
bonds (distance) P-C4' energy: -39.353
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: 4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -254.655840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.655840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.655840 (E_RNA)
where:
Base-Base interactions energy: -85.039
where: short stacking energy: -77.854
Base-Backbone interact. energy: -0.053
local terms energy: -169.563697
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -55.220
flat angles C4'-P-C4' energy: -46.448
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: 4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -964.749030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.749030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.749030 (E_RNA)
where:
Base-Base interactions energy: -667.658
where: short stacking energy: -295.808
Base-Backbone interact. energy: -0.693
local terms energy: -296.398191
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -61.955
flat angles P-C4'-P energy: -46.160
tors. eta vs tors. theta energy: -85.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -952.034858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.034858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.034858 (E_RNA)
where:
Base-Base interactions energy: -668.191
where: short stacking energy: -273.177
Base-Backbone interact. energy: 0.742
local terms energy: -284.585361
where:
bonds (distance) C4'-P energy: -41.482
bonds (distance) P-C4' energy: -51.093
flat angles C4'-P-C4' energy: -60.309
flat angles P-C4'-P energy: -44.085
tors. eta vs tors. theta energy: -87.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -920.916536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.916536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.916536 (E_RNA)
where:
Base-Base interactions energy: -629.938
where: short stacking energy: -272.938
Base-Backbone interact. energy: -0.959
local terms energy: -290.018893
where:
bonds (distance) C4'-P energy: -54.451
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -43.555
tors. eta vs tors. theta energy: -77.257
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -844.423028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.423028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.423028 (E_RNA)
where:
Base-Base interactions energy: -565.656
where: short stacking energy: -262.919
Base-Backbone interact. energy: -0.242
local terms energy: -278.525524
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -41.015
tors. eta vs tors. theta energy: -73.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -837.041616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.041616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.041616 (E_RNA)
where:
Base-Base interactions energy: -578.855
where: short stacking energy: -245.043
Base-Backbone interact. energy: 1.661
local terms energy: -259.847386
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -54.613
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -73.961
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: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -774.777892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.777892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.777892 (E_RNA)
where:
Base-Base interactions energy: -528.482
where: short stacking energy: -233.268
Base-Backbone interact. energy: 0.391
local terms energy: -246.686782
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -45.811
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -65.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -770.605267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.605267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.605267 (E_RNA)
where:
Base-Base interactions energy: -527.543
where: short stacking energy: -216.514
Base-Backbone interact. energy: -0.642
local terms energy: -242.419812
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -50.448
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -60.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -692.998965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.998965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.998965 (E_RNA)
where:
Base-Base interactions energy: -467.316
where: short stacking energy: -199.926
Base-Backbone interact. energy: 0.733
local terms energy: -226.415935
where:
bonds (distance) C4'-P energy: -34.971
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -50.988
flat angles P-C4'-P energy: -33.228
tors. eta vs tors. theta energy: -52.971
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: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -290.962117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.962117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.962117 (E_RNA)
where:
Base-Base interactions energy: -127.076
where: short stacking energy: -83.539
Base-Backbone interact. energy: 1.461
local terms energy: -165.346664
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -45.700
flat angles C4'-P-C4' energy: -38.581
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -226.996596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.996596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.996596 (E_RNA)
where:
Base-Base interactions energy: -93.045
where: short stacking energy: -77.446
Base-Backbone interact. energy: -0.751
local terms energy: -133.200634
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -36.961
flat angles C4'-P-C4' energy: -41.819
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: 4.198
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: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -972.493664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.493664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.493664 (E_RNA)
where:
Base-Base interactions energy: -672.195
where: short stacking energy: -290.887
Base-Backbone interact. energy: -0.702
local terms energy: -299.597387
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -58.990
flat angles C4'-P-C4' energy: -61.943
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -85.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -949.802450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.802450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.802450 (E_RNA)
where:
Base-Base interactions energy: -659.341
where: short stacking energy: -270.407
Base-Backbone interact. energy: -0.820
local terms energy: -289.641264
where:
bonds (distance) C4'-P energy: -51.691
bonds (distance) P-C4' energy: -57.327
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -35.789
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: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -853.507537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.507537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.507537 (E_RNA)
where:
Base-Base interactions energy: -579.334
where: short stacking energy: -254.160
Base-Backbone interact. energy: -1.507
local terms energy: -272.666541
where:
bonds (distance) C4'-P energy: -54.187
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -61.597
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: -68.683
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: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -871.808000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.808000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.808000 (E_RNA)
where:
Base-Base interactions energy: -600.800
where: short stacking energy: -267.098
Base-Backbone interact. energy: 0.555
local terms energy: -271.563202
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -56.192
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -70.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -839.214924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.214924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.214924 (E_RNA)
where:
Base-Base interactions energy: -571.419
where: short stacking energy: -238.053
Base-Backbone interact. energy: -1.905
local terms energy: -265.890933
where:
bonds (distance) C4'-P energy: -48.130
bonds (distance) P-C4' energy: -51.962
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -63.634
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: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -779.025390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.025390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.025390 (E_RNA)
where:
Base-Base interactions energy: -527.635
where: short stacking energy: -234.946
Base-Backbone interact. energy: -0.777
local terms energy: -250.613069
where:
bonds (distance) C4'-P energy: -45.787
bonds (distance) P-C4' energy: -37.704
flat angles C4'-P-C4' energy: -61.766
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -62.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -732.172449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.172449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.172449 (E_RNA)
where:
Base-Base interactions energy: -503.575
where: short stacking energy: -211.444
Base-Backbone interact. energy: -0.562
local terms energy: -228.035328
where:
bonds (distance) C4'-P energy: -47.987
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -43.230
flat angles P-C4'-P energy: -30.798
tors. eta vs tors. theta energy: -59.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -674.146158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.146158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.146158 (E_RNA)
where:
Base-Base interactions energy: -448.022
where: short stacking energy: -191.124
Base-Backbone interact. energy: 1.710
local terms energy: -227.833924
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: -51.571
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: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -257.219361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.219361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.219361 (E_RNA)
where:
Base-Base interactions energy: -131.168
where: short stacking energy: -83.193
Base-Backbone interact. energy: 0.768
local terms energy: -126.819148
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -35.154
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: 7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -230.429470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.429470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.429470 (E_RNA)
where:
Base-Base interactions energy: -83.544
where: short stacking energy: -78.948
Base-Backbone interact. energy: -1.136
local terms energy: -145.749995
where:
bonds (distance) C4'-P energy: -37.256
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -44.633
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: 9.784
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: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -957.194398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.194398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.194398 (E_RNA)
where:
Base-Base interactions energy: -672.758
where: short stacking energy: -287.820
Base-Backbone interact. energy: 0.403
local terms energy: -284.839466
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -64.040
flat angles P-C4'-P energy: -38.833
tors. eta vs tors. theta energy: -87.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -938.380284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.380284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.380284 (E_RNA)
where:
Base-Base interactions energy: -654.561
where: short stacking energy: -258.995
Base-Backbone interact. energy: -1.367
local terms energy: -282.452694
where:
bonds (distance) C4'-P energy: -51.789
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: -76.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -845.022135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.022135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.022135 (E_RNA)
where:
Base-Base interactions energy: -577.329
where: short stacking energy: -249.363
Base-Backbone interact. energy: -1.742
local terms energy: -265.951544
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -59.595
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -72.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -844.704150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.704150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.704150 (E_RNA)
where:
Base-Base interactions energy: -579.747
where: short stacking energy: -254.418
Base-Backbone interact. energy: -0.742
local terms energy: -264.215087
where:
bonds (distance) C4'-P energy: -45.118
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -54.252
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -74.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -859.274141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.274141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.274141 (E_RNA)
where:
Base-Base interactions energy: -604.613
where: short stacking energy: -247.832
Base-Backbone interact. energy: -1.205
local terms energy: -253.456456
where:
bonds (distance) C4'-P energy: -34.005
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -46.181
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: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -799.183844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.183844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.183844 (E_RNA)
where:
Base-Base interactions energy: -539.296
where: short stacking energy: -236.298
Base-Backbone interact. energy: -0.774
local terms energy: -259.114261
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -31.964
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: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -749.263200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.263200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.263200 (E_RNA)
where:
Base-Base interactions energy: -512.602
where: short stacking energy: -208.557
Base-Backbone interact. energy: 2.098
local terms energy: -238.758714
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -58.015
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: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -661.752775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.752775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.752775 (E_RNA)
where:
Base-Base interactions energy: -441.751
where: short stacking energy: -197.490
Base-Backbone interact. energy: -0.953
local terms energy: -219.048673
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -46.680
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -53.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -295.179834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.179834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.179834 (E_RNA)
where:
Base-Base interactions energy: -124.661
where: short stacking energy: -87.040
Base-Backbone interact. energy: -0.311
local terms energy: -170.207678
where:
bonds (distance) C4'-P energy: -41.202
bonds (distance) P-C4' energy: -54.773
flat angles C4'-P-C4' energy: -43.837
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -233.177632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.177632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.177632 (E_RNA)
where:
Base-Base interactions energy: -79.533
where: short stacking energy: -58.763
Base-Backbone interact. energy: 3.021
local terms energy: -156.665890
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -28.844
tors. eta vs tors. theta energy: 5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -964.834498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.834498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.834498 (E_RNA)
where:
Base-Base interactions energy: -666.780
where: short stacking energy: -282.409
Base-Backbone interact. energy: 0.738
local terms energy: -298.792111
where:
bonds (distance) C4'-P energy: -56.804
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -53.690
flat angles P-C4'-P energy: -45.858
tors. eta vs tors. theta energy: -84.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -948.496805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.496805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.496805 (E_RNA)
where:
Base-Base interactions energy: -652.808
where: short stacking energy: -278.257
Base-Backbone interact. energy: -0.022
local terms energy: -295.666255
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -55.290
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -89.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -862.496596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.496596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.496596 (E_RNA)
where:
Base-Base interactions energy: -594.796
where: short stacking energy: -234.160
Base-Backbone interact. energy: -1.358
local terms energy: -266.342932
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -59.445
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -63.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -824.330229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.330229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.330229 (E_RNA)
where:
Base-Base interactions energy: -572.010
where: short stacking energy: -240.984
Base-Backbone interact. energy: -1.495
local terms energy: -250.825797
where:
bonds (distance) C4'-P energy: -43.441
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -54.298
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -63.075
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -862.778106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.778106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.778106 (E_RNA)
where:
Base-Base interactions energy: -608.371
where: short stacking energy: -256.567
Base-Backbone interact. energy: -0.377
local terms energy: -254.030415
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -57.562
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -67.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -772.839267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.839267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.839267 (E_RNA)
where:
Base-Base interactions energy: -545.854
where: short stacking energy: -238.236
Base-Backbone interact. energy: 1.047
local terms energy: -228.032209
where:
bonds (distance) C4'-P energy: -33.389
bonds (distance) P-C4' energy: -50.681
flat angles C4'-P-C4' energy: -41.994
flat angles P-C4'-P energy: -37.082
tors. eta vs tors. theta energy: -64.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -725.587758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.587758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.587758 (E_RNA)
where:
Base-Base interactions energy: -485.355
where: short stacking energy: -210.718
Base-Backbone interact. energy: -0.813
local terms energy: -239.419797
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -46.338
flat angles C4'-P-C4' energy: -54.757
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -63.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -644.143826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.143826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.143826 (E_RNA)
where:
Base-Base interactions energy: -411.467
where: short stacking energy: -180.610
Base-Backbone interact. energy: 0.429
local terms energy: -233.105559
where:
bonds (distance) C4'-P energy: -44.870
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -49.456
flat angles P-C4'-P energy: -32.122
tors. eta vs tors. theta energy: -48.869
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: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -261.220999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.220999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.220999 (E_RNA)
where:
Base-Base interactions energy: -100.508
where: short stacking energy: -85.794
Base-Backbone interact. energy: 0.380
local terms energy: -161.093645
where:
bonds (distance) C4'-P energy: -41.218
bonds (distance) P-C4' energy: -48.975
flat angles C4'-P-C4' energy: -42.809
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -273.955679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.955679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.955679 (E_RNA)
where:
Base-Base interactions energy: -133.715
where: short stacking energy: -86.585
Base-Backbone interact. energy: 3.805
local terms energy: -144.044960
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -36.631
flat angles C4'-P-C4' energy: -42.712
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: 10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -963.307720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.307720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.307720 (E_RNA)
where:
Base-Base interactions energy: -674.307
where: short stacking energy: -290.122
Base-Backbone interact. energy: -0.765
local terms energy: -288.236169
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -55.132
flat angles P-C4'-P energy: -40.270
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -946.005707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.005707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.005707 (E_RNA)
where:
Base-Base interactions energy: -660.740
where: short stacking energy: -281.159
Base-Backbone interact. energy: -1.068
local terms energy: -284.197421
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -57.913
flat angles C4'-P-C4' energy: -62.778
flat angles P-C4'-P energy: -34.066
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: 489
Temperature: 1.000000
Total energy: -860.244337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.244337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.244337 (E_RNA)
where:
Base-Base interactions energy: -593.893
where: short stacking energy: -239.084
Base-Backbone interact. energy: -0.871
local terms energy: -265.480348
where:
bonds (distance) C4'-P energy: -51.092
bonds (distance) P-C4' energy: -57.145
flat angles C4'-P-C4' energy: -59.383
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -61.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -833.660966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.660966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.660966 (E_RNA)
where:
Base-Base interactions energy: -563.707
where: short stacking energy: -263.675
Base-Backbone interact. energy: 0.834
local terms energy: -270.788631
where:
bonds (distance) C4'-P energy: -51.112
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -54.672
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -77.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -860.093140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.093140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.093140 (E_RNA)
where:
Base-Base interactions energy: -604.589
where: short stacking energy: -245.932
Base-Backbone interact. energy: -0.214
local terms energy: -255.290498
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -49.588
flat angles C4'-P-C4' energy: -51.860
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -67.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -802.925297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.925297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.925297 (E_RNA)
where:
Base-Base interactions energy: -546.639
where: short stacking energy: -239.894
Base-Backbone interact. energy: -0.466
local terms energy: -255.820251
where:
bonds (distance) C4'-P energy: -47.453
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -53.963
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -69.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -720.945593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.945593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.945593 (E_RNA)
where:
Base-Base interactions energy: -495.789
where: short stacking energy: -209.952
Base-Backbone interact. energy: -1.180
local terms energy: -223.975804
where:
bonds (distance) C4'-P energy: -40.233
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -48.973
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -52.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -653.938442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.938442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.938442 (E_RNA)
where:
Base-Base interactions energy: -430.663
where: short stacking energy: -186.680
Base-Backbone interact. energy: 1.503
local terms energy: -224.778041
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -44.308
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -44.723
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: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -247.965917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.965917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.965917 (E_RNA)
where:
Base-Base interactions energy: -100.542
where: short stacking energy: -90.110
Base-Backbone interact. energy: -1.207
local terms energy: -146.217162
where:
bonds (distance) C4'-P energy: -45.135
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: 2.287
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: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -236.878292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.878292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.878292 (E_RNA)
where:
Base-Base interactions energy: -91.469
where: short stacking energy: -52.062
Base-Backbone interact. energy: -0.222
local terms energy: -145.187440
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -46.611
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: 11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -946.201308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.201308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.201308 (E_RNA)
where:
Base-Base interactions energy: -659.412
where: short stacking energy: -277.837
Base-Backbone interact. energy: -2.062
local terms energy: -284.727715
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -46.056
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: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -958.041647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.041647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.041647 (E_RNA)
where:
Base-Base interactions energy: -660.710
where: short stacking energy: -276.737
Base-Backbone interact. energy: 0.172
local terms energy: -297.503925
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -56.285
flat angles C4'-P-C4' energy: -65.953
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -92.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -865.935903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.935903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.935903 (E_RNA)
where:
Base-Base interactions energy: -593.296
where: short stacking energy: -246.958
Base-Backbone interact. energy: -0.568
local terms energy: -272.071771
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -45.259
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: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -848.679793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.679793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.679793 (E_RNA)
where:
Base-Base interactions energy: -588.051
where: short stacking energy: -263.846
Base-Backbone interact. energy: -0.137
local terms energy: -260.491514
where:
bonds (distance) C4'-P energy: -49.848
bonds (distance) P-C4' energy: -49.794
flat angles C4'-P-C4' energy: -46.416
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -75.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -823.228078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.228078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.228078 (E_RNA)
where:
Base-Base interactions energy: -565.008
where: short stacking energy: -243.012
Base-Backbone interact. energy: -0.050
local terms energy: -258.169543
where:
bonds (distance) C4'-P energy: -42.542
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -59.554
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -70.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -833.372950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.372950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.372950 (E_RNA)
where:
Base-Base interactions energy: -577.548
where: short stacking energy: -254.466
Base-Backbone interact. energy: -1.023
local terms energy: -254.801734
where:
bonds (distance) C4'-P energy: -43.242
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -59.969
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -69.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -760.542945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.542945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.542945 (E_RNA)
where:
Base-Base interactions energy: -538.564
where: short stacking energy: -232.872
Base-Backbone interact. energy: -1.213
local terms energy: -220.765780
where:
bonds (distance) C4'-P energy: -48.326
bonds (distance) P-C4' energy: -38.748
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -57.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -641.873465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.873465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.873465 (E_RNA)
where:
Base-Base interactions energy: -421.894
where: short stacking energy: -197.284
Base-Backbone interact. energy: 1.568
local terms energy: -221.547997
where:
bonds (distance) C4'-P energy: -44.366
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -56.242
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: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -238.024739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.024739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.024739 (E_RNA)
where:
Base-Base interactions energy: -89.401
where: short stacking energy: -57.076
Base-Backbone interact. energy: 0.550
local terms energy: -149.174154
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -44.308
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: 10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -231.351079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.351079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.351079 (E_RNA)
where:
Base-Base interactions energy: -101.272
where: short stacking energy: -70.790
Base-Backbone interact. energy: -0.352
local terms energy: -129.726484
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -48.624
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: 11.126
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: 491
Temperature: 0.900000
Total energy: -946.324811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.324811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.324811 (E_RNA)
where:
Base-Base interactions energy: -670.076
where: short stacking energy: -284.591
Base-Backbone interact. energy: -0.407
local terms energy: -275.841720
where:
bonds (distance) C4'-P energy: -44.832
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -54.280
flat angles P-C4'-P energy: -47.201
tors. eta vs tors. theta energy: -84.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -946.183361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.183361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.183361 (E_RNA)
where:
Base-Base interactions energy: -659.196
where: short stacking energy: -278.480
Base-Backbone interact. energy: -1.100
local terms energy: -285.887043
where:
bonds (distance) C4'-P energy: -58.949
bonds (distance) P-C4' energy: -42.564
flat angles C4'-P-C4' energy: -60.052
flat angles P-C4'-P energy: -39.639
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: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -865.487334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.487334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.487334 (E_RNA)
where:
Base-Base interactions energy: -594.476
where: short stacking energy: -242.818
Base-Backbone interact. energy: 0.642
local terms energy: -271.653278
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -62.761
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -68.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -831.497357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.497357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.497357 (E_RNA)
where:
Base-Base interactions energy: -572.539
where: short stacking energy: -245.957
Base-Backbone interact. energy: -0.345
local terms energy: -258.613728
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -49.143
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -33.644
tors. eta vs tors. theta energy: -69.886
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: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -824.917970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.917970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.917970 (E_RNA)
where:
Base-Base interactions energy: -573.797
where: short stacking energy: -256.010
Base-Backbone interact. energy: -1.227
local terms energy: -249.893596
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -51.192
flat angles C4'-P-C4' energy: -47.415
flat angles P-C4'-P energy: -33.577
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: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -818.880641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.880641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.880641 (E_RNA)
where:
Base-Base interactions energy: -572.079
where: short stacking energy: -244.026
Base-Backbone interact. energy: -0.400
local terms energy: -246.402208
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -46.975
flat angles P-C4'-P energy: -37.165
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: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -790.465812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.465812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.465812 (E_RNA)
where:
Base-Base interactions energy: -544.174
where: short stacking energy: -226.911
Base-Backbone interact. energy: -0.433
local terms energy: -245.858810
where:
bonds (distance) C4'-P energy: -45.168
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -64.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -655.808856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.808856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.808856 (E_RNA)
where:
Base-Base interactions energy: -434.394
where: short stacking energy: -196.384
Base-Backbone interact. energy: 2.859
local terms energy: -224.273814
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -50.851
flat angles P-C4'-P energy: -27.981
tors. eta vs tors. theta energy: -57.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -260.666324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.666324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.666324 (E_RNA)
where:
Base-Base interactions energy: -96.537
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.538
local terms energy: -163.591149
where:
bonds (distance) C4'-P energy: -40.452
bonds (distance) P-C4' energy: -49.802
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -218.891405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.891405 (E_RNA)
where:
Base-Base interactions energy: -69.359
where: short stacking energy: -58.029
Base-Backbone interact. energy: 1.641
local terms energy: -151.173528
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: 7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -961.777842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.777842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.777842 (E_RNA)
where:
Base-Base interactions energy: -661.824
where: short stacking energy: -272.789
Base-Backbone interact. energy: -0.586
local terms energy: -299.367637
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -60.080
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -85.751
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: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -949.497330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.497330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.497330 (E_RNA)
where:
Base-Base interactions energy: -653.275
where: short stacking energy: -287.475
Base-Backbone interact. energy: -1.312
local terms energy: -294.910473
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -57.971
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -88.703
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: -882.706370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.706370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.706370 (E_RNA)
where:
Base-Base interactions energy: -608.252
where: short stacking energy: -247.133
Base-Backbone interact. energy: -1.845
local terms energy: -272.610100
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -57.982
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -32.527
tors. eta vs tors. theta energy: -76.438
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: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -830.761657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.761657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.761657 (E_RNA)
where:
Base-Base interactions energy: -564.549
where: short stacking energy: -244.710
Base-Backbone interact. energy: 0.209
local terms energy: -266.420830
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -48.224
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: -69.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -815.122157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.122157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.122157 (E_RNA)
where:
Base-Base interactions energy: -582.929
where: short stacking energy: -244.423
Base-Backbone interact. energy: -0.582
local terms energy: -231.611038
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -48.413
flat angles C4'-P-C4' energy: -58.421
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -64.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -797.964131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.964131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.964131 (E_RNA)
where:
Base-Base interactions energy: -554.745
where: short stacking energy: -242.857
Base-Backbone interact. energy: -0.292
local terms energy: -242.927128
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -56.396
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -67.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -776.960420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.960420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.960420 (E_RNA)
where:
Base-Base interactions energy: -534.784
where: short stacking energy: -234.973
Base-Backbone interact. energy: 1.624
local terms energy: -243.800284
where:
bonds (distance) C4'-P energy: -44.469
bonds (distance) P-C4' energy: -43.789
flat angles C4'-P-C4' energy: -56.478
flat angles P-C4'-P energy: -36.592
tors. eta vs tors. theta energy: -62.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -651.277395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.277395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.277395 (E_RNA)
where:
Base-Base interactions energy: -451.021
where: short stacking energy: -187.695
Base-Backbone interact. energy: -0.962
local terms energy: -199.294410
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -51.687
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -40.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -231.555835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.555835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.555835 (E_RNA)
where:
Base-Base interactions energy: -86.320
where: short stacking energy: -60.289
Base-Backbone interact. energy: 0.455
local terms energy: -145.691479
where:
bonds (distance) C4'-P energy: -46.895
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: 11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -229.599042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.599042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.599042 (E_RNA)
where:
Base-Base interactions energy: -99.462
where: short stacking energy: -72.952
Base-Backbone interact. energy: -0.909
local terms energy: -129.227587
where:
bonds (distance) C4'-P energy: -40.211
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -35.268
tors. eta vs tors. theta energy: 0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -962.078752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.078752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.078752 (E_RNA)
where:
Base-Base interactions energy: -663.546
where: short stacking energy: -283.957
Base-Backbone interact. energy: -0.160
local terms energy: -298.372469
where:
bonds (distance) C4'-P energy: -60.034
bonds (distance) P-C4' energy: -49.539
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -43.835
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: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -943.624198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.624198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.624198 (E_RNA)
where:
Base-Base interactions energy: -667.389
where: short stacking energy: -283.339
Base-Backbone interact. energy: -0.622
local terms energy: -275.613376
where:
bonds (distance) C4'-P energy: -45.951
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -85.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -861.096684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.096684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.096684 (E_RNA)
where:
Base-Base interactions energy: -595.206
where: short stacking energy: -258.852
Base-Backbone interact. energy: -0.588
local terms energy: -265.302466
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -49.982
flat angles C4'-P-C4' energy: -60.324
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -71.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -847.045158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.045158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.045158 (E_RNA)
where:
Base-Base interactions energy: -591.222
where: short stacking energy: -248.392
Base-Backbone interact. energy: -1.269
local terms energy: -254.553731
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -46.670
flat angles C4'-P-C4' energy: -55.120
flat angles P-C4'-P energy: -37.718
tors. eta vs tors. theta energy: -70.059
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: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -805.657617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.657617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.657617 (E_RNA)
where:
Base-Base interactions energy: -543.078
where: short stacking energy: -233.821
Base-Backbone interact. energy: -0.746
local terms energy: -261.833383
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -49.952
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -67.559
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: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -785.510279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.510279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.510279 (E_RNA)
where:
Base-Base interactions energy: -530.928
where: short stacking energy: -218.825
Base-Backbone interact. energy: -1.395
local terms energy: -253.187242
where:
bonds (distance) C4'-P energy: -50.383
bonds (distance) P-C4' energy: -56.810
flat angles C4'-P-C4' energy: -46.042
flat angles P-C4'-P energy: -42.894
tors. eta vs tors. theta energy: -57.058
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: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -749.461560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.461560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.461560 (E_RNA)
where:
Base-Base interactions energy: -509.846
where: short stacking energy: -203.121
Base-Backbone interact. energy: -0.505
local terms energy: -239.111300
where:
bonds (distance) C4'-P energy: -37.687
bonds (distance) P-C4' energy: -40.678
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -40.293
tors. eta vs tors. theta energy: -61.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -680.267450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.267450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.267450 (E_RNA)
where:
Base-Base interactions energy: -448.321
where: short stacking energy: -196.965
Base-Backbone interact. energy: 1.287
local terms energy: -233.232659
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -49.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -246.009283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.009283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.009283 (E_RNA)
where:
Base-Base interactions energy: -95.322
where: short stacking energy: -62.693
Base-Backbone interact. energy: 1.182
local terms energy: -151.869486
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -42.883
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: 6.578
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: 493
Temperature: 1.350000
Total energy: -231.259005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.259005 (E_RNA)
where:
Base-Base interactions energy: -75.549
where: short stacking energy: -57.075
Base-Backbone interact. energy: -1.794
local terms energy: -153.916101
where:
bonds (distance) C4'-P energy: -47.093
bonds (distance) P-C4' energy: -51.381
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -31.253
tors. eta vs tors. theta energy: 11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -957.348795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.348795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.348795 (E_RNA)
where:
Base-Base interactions energy: -668.284
where: short stacking energy: -286.095
Base-Backbone interact. energy: 0.170
local terms energy: -289.235556
where:
bonds (distance) C4'-P energy: -52.372
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -59.508
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -89.944
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: 494
Temperature: 0.950000
Total energy: -954.223028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.223028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.223028 (E_RNA)
where:
Base-Base interactions energy: -675.076
where: short stacking energy: -284.049
Base-Backbone interact. energy: -1.098
local terms energy: -278.049697
where:
bonds (distance) C4'-P energy: -47.291
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -58.403
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -81.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -879.972873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.972873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.972873 (E_RNA)
where:
Base-Base interactions energy: -607.283
where: short stacking energy: -246.863
Base-Backbone interact. energy: 1.202
local terms energy: -273.891355
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -55.414
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -39.879
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: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -860.241373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.241373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.241373 (E_RNA)
where:
Base-Base interactions energy: -605.072
where: short stacking energy: -252.681
Base-Backbone interact. energy: -0.847
local terms energy: -254.322707
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -57.455
flat angles P-C4'-P energy: -34.587
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: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -827.289404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.289404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.289404 (E_RNA)
where:
Base-Base interactions energy: -566.502
where: short stacking energy: -262.225
Base-Backbone interact. energy: -0.852
local terms energy: -259.936082
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -42.326
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -75.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -762.437657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.437657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.437657 (E_RNA)
where:
Base-Base interactions energy: -525.114
where: short stacking energy: -234.787
Base-Backbone interact. energy: 0.215
local terms energy: -237.538539
where:
bonds (distance) C4'-P energy: -49.287
bonds (distance) P-C4' energy: -44.118
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -58.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -694.104829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.104829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.104829 (E_RNA)
where:
Base-Base interactions energy: -487.334
where: short stacking energy: -216.825
Base-Backbone interact. energy: 1.463
local terms energy: -208.233841
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -54.892
flat angles P-C4'-P energy: -30.180
tors. eta vs tors. theta energy: -55.619
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: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -746.179230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.179230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.179230 (E_RNA)
where:
Base-Base interactions energy: -502.955
where: short stacking energy: -215.755
Base-Backbone interact. energy: 1.180
local terms energy: -244.404705
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -53.022
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -66.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -257.819233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.819233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.819233 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -87.926
Base-Backbone interact. energy: -2.586
local terms energy: -138.500112
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -31.087
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -8.092
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: 494
Temperature: 1.350000
Total energy: -211.457743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.457743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.457743 (E_RNA)
where:
Base-Base interactions energy: -97.110
where: short stacking energy: -64.212
Base-Backbone interact. energy: -1.666
local terms energy: -112.681368
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -55.939
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: 7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -957.583052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.583052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.583052 (E_RNA)
where:
Base-Base interactions energy: -659.370
where: short stacking energy: -284.837
Base-Backbone interact. energy: 1.691
local terms energy: -299.904493
where:
bonds (distance) C4'-P energy: -61.467
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -89.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -935.001060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.001060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.001060 (E_RNA)
where:
Base-Base interactions energy: -656.705
where: short stacking energy: -270.788
Base-Backbone interact. energy: -0.005
local terms energy: -278.290730
where:
bonds (distance) C4'-P energy: -47.013
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -51.918
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -80.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -882.304413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.304413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.304413 (E_RNA)
where:
Base-Base interactions energy: -595.439
where: short stacking energy: -278.104
Base-Backbone interact. energy: -0.033
local terms energy: -286.831928
where:
bonds (distance) C4'-P energy: -43.547
bonds (distance) P-C4' energy: -49.785
flat angles C4'-P-C4' energy: -68.141
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -886.329903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.329903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.329903 (E_RNA)
where:
Base-Base interactions energy: -618.940
where: short stacking energy: -253.377
Base-Backbone interact. energy: 1.617
local terms energy: -269.007132
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -59.322
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -67.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -817.853660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.853660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.853660 (E_RNA)
where:
Base-Base interactions energy: -550.465
where: short stacking energy: -242.736
Base-Backbone interact. energy: 0.640
local terms energy: -268.028406
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -52.175
flat angles C4'-P-C4' energy: -59.940
flat angles P-C4'-P energy: -35.746
tors. eta vs tors. theta energy: -71.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -791.368648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.368648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.368648 (E_RNA)
where:
Base-Base interactions energy: -537.671
where: short stacking energy: -221.795
Base-Backbone interact. energy: -0.236
local terms energy: -253.461527
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: -61.766
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: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -674.081957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.081957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.081957 (E_RNA)
where:
Base-Base interactions energy: -455.505
where: short stacking energy: -200.567
Base-Backbone interact. energy: -0.153
local terms energy: -218.423666
where:
bonds (distance) C4'-P energy: -42.347
bonds (distance) P-C4' energy: -31.628
flat angles C4'-P-C4' energy: -50.905
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -59.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -749.356901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.356901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.356901 (E_RNA)
where:
Base-Base interactions energy: -512.157
where: short stacking energy: -197.352
Base-Backbone interact. energy: 0.169
local terms energy: -237.369234
where:
bonds (distance) C4'-P energy: -42.887
bonds (distance) P-C4' energy: -43.131
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -43.719
tors. eta vs tors. theta energy: -53.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -263.414161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.414161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.414161 (E_RNA)
where:
Base-Base interactions energy: -111.164
where: short stacking energy: -82.534
Base-Backbone interact. energy: 2.622
local terms energy: -154.872125
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -43.134
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: 3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -206.641192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.641192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.641192 (E_RNA)
where:
Base-Base interactions energy: -63.435
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.670
local terms energy: -142.535700
where:
bonds (distance) C4'-P energy: -44.348
bonds (distance) P-C4' energy: -43.394
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -0.346
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: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -963.395843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.395843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.395843 (E_RNA)
where:
Base-Base interactions energy: -667.996
where: short stacking energy: -294.070
Base-Backbone interact. energy: -0.514
local terms energy: -294.885391
where:
bonds (distance) C4'-P energy: -54.165
bonds (distance) P-C4' energy: -49.869
flat angles C4'-P-C4' energy: -56.438
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -91.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -963.626587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.626587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.626587 (E_RNA)
where:
Base-Base interactions energy: -677.323
where: short stacking energy: -291.631
Base-Backbone interact. energy: -0.232
local terms energy: -286.072143
where:
bonds (distance) C4'-P energy: -42.635
bonds (distance) P-C4' energy: -52.746
flat angles C4'-P-C4' energy: -64.624
flat angles P-C4'-P energy: -38.986
tors. eta vs tors. theta energy: -87.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -863.567233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.567233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.567233 (E_RNA)
where:
Base-Base interactions energy: -610.998
where: short stacking energy: -260.543
Base-Backbone interact. energy: -2.146
local terms energy: -250.422338
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -40.747
flat angles C4'-P-C4' energy: -55.898
flat angles P-C4'-P energy: -39.811
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: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -879.145190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.145190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.145190 (E_RNA)
where:
Base-Base interactions energy: -611.379
where: short stacking energy: -266.265
Base-Backbone interact. energy: -0.606
local terms energy: -267.160266
where:
bonds (distance) C4'-P energy: -48.245
bonds (distance) P-C4' energy: -40.582
flat angles C4'-P-C4' energy: -59.096
flat angles P-C4'-P energy: -46.317
tors. eta vs tors. theta energy: -72.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -812.736981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.736981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.736981 (E_RNA)
where:
Base-Base interactions energy: -549.783
where: short stacking energy: -234.169
Base-Backbone interact. energy: -0.566
local terms energy: -262.388030
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -43.789
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: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -765.685331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.685331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.685331 (E_RNA)
where:
Base-Base interactions energy: -522.025
where: short stacking energy: -220.416
Base-Backbone interact. energy: -0.901
local terms energy: -242.758518
where:
bonds (distance) C4'-P energy: -45.143
bonds (distance) P-C4' energy: -48.916
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -61.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -760.229526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.229526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.229526 (E_RNA)
where:
Base-Base interactions energy: -542.369
where: short stacking energy: -219.573
Base-Backbone interact. energy: -0.862
local terms energy: -216.998371
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -49.359
flat angles C4'-P-C4' energy: -41.106
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: -52.977
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: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -606.066065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.066065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.066065 (E_RNA)
where:
Base-Base interactions energy: -391.925
where: short stacking energy: -168.148
Base-Backbone interact. energy: -2.769
local terms energy: -211.372025
where:
bonds (distance) C4'-P energy: -51.054
bonds (distance) P-C4' energy: -44.948
flat angles C4'-P-C4' energy: -41.614
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -40.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -245.212264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.212264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.212264 (E_RNA)
where:
Base-Base interactions energy: -100.747
where: short stacking energy: -60.720
Base-Backbone interact. energy: -1.605
local terms energy: -142.860435
where:
bonds (distance) C4'-P energy: -44.955
bonds (distance) P-C4' energy: -42.165
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -28.939
tors. eta vs tors. theta energy: 16.109
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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -228.176727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.176727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.176727 (E_RNA)
where:
Base-Base interactions energy: -78.591
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.826
local terms energy: -148.759967
where:
bonds (distance) C4'-P energy: -45.290
bonds (distance) P-C4' energy: -42.660
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -965.580615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.580615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.580615 (E_RNA)
where:
Base-Base interactions energy: -676.995
where: short stacking energy: -296.397
Base-Backbone interact. energy: -1.425
local terms energy: -287.160453
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -60.768
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -87.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -899.952099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.952099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.952099 (E_RNA)
where:
Base-Base interactions energy: -624.909
where: short stacking energy: -243.945
Base-Backbone interact. energy: 0.912
local terms energy: -275.954964
where:
bonds (distance) C4'-P energy: -51.534
bonds (distance) P-C4' energy: -48.007
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: -72.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -930.015300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.015300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.015300 (E_RNA)
where:
Base-Base interactions energy: -649.849
where: short stacking energy: -260.533
Base-Backbone interact. energy: -1.669
local terms energy: -278.497486
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -54.680
flat angles C4'-P-C4' energy: -56.788
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -82.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -874.509398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.509398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.509398 (E_RNA)
where:
Base-Base interactions energy: -598.281
where: short stacking energy: -267.153
Base-Backbone interact. energy: -0.316
local terms energy: -275.912958
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -53.110
flat angles C4'-P-C4' energy: -55.885
flat angles P-C4'-P energy: -44.585
tors. eta vs tors. theta energy: -71.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -829.797265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.797265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.797265 (E_RNA)
where:
Base-Base interactions energy: -564.850
where: short stacking energy: -241.184
Base-Backbone interact. energy: -1.650
local terms energy: -263.297651
where:
bonds (distance) C4'-P energy: -49.404
bonds (distance) P-C4' energy: -45.097
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -71.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -781.576422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.576422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.576422 (E_RNA)
where:
Base-Base interactions energy: -541.650
where: short stacking energy: -232.092
Base-Backbone interact. energy: 3.739
local terms energy: -243.665281
where:
bonds (distance) C4'-P energy: -41.281
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -38.687
tors. eta vs tors. theta energy: -63.954
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: 497
Temperature: 1.200000
Total energy: -747.001489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.001489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.001489 (E_RNA)
where:
Base-Base interactions energy: -516.391
where: short stacking energy: -220.777
Base-Backbone interact. energy: -0.666
local terms energy: -229.944359
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -53.799
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: -60.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -624.859338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.859338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.859338 (E_RNA)
where:
Base-Base interactions energy: -417.313
where: short stacking energy: -181.048
Base-Backbone interact. energy: -0.585
local terms energy: -206.961154
where:
bonds (distance) C4'-P energy: -43.245
bonds (distance) P-C4' energy: -42.578
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -44.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -226.870516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.870516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.870516 (E_RNA)
where:
Base-Base interactions energy: -76.775
where: short stacking energy: -56.846
Base-Backbone interact. energy: -1.380
local terms energy: -148.715225
where:
bonds (distance) C4'-P energy: -36.338
bonds (distance) P-C4' energy: -36.916
flat angles C4'-P-C4' energy: -45.141
flat angles P-C4'-P energy: -37.966
tors. eta vs tors. theta energy: 7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -222.397934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.397934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.397934 (E_RNA)
where:
Base-Base interactions energy: -79.904
where: short stacking energy: -68.260
Base-Backbone interact. energy: 5.392
local terms energy: -147.885819
where:
bonds (distance) C4'-P energy: -48.609
bonds (distance) P-C4' energy: -42.293
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -2.192
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: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -973.979864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.979864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.979864 (E_RNA)
where:
Base-Base interactions energy: -681.903
where: short stacking energy: -286.877
Base-Backbone interact. energy: -0.550
local terms energy: -291.526510
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -85.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -871.744875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.744875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.744875 (E_RNA)
where:
Base-Base interactions energy: -596.075
where: short stacking energy: -253.453
Base-Backbone interact. energy: -0.429
local terms energy: -275.240688
where:
bonds (distance) C4'-P energy: -45.567
bonds (distance) P-C4' energy: -52.809
flat angles C4'-P-C4' energy: -65.455
flat angles P-C4'-P energy: -43.893
tors. eta vs tors. theta energy: -67.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -930.408714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.408714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.408714 (E_RNA)
where:
Base-Base interactions energy: -660.605
where: short stacking energy: -275.578
Base-Backbone interact. energy: 0.106
local terms energy: -269.910343
where:
bonds (distance) C4'-P energy: -49.499
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -56.906
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -79.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -871.768122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.768122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.768122 (E_RNA)
where:
Base-Base interactions energy: -609.571
where: short stacking energy: -270.366
Base-Backbone interact. energy: -0.883
local terms energy: -261.313882
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -54.206
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -77.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -826.106467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.106467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.106467 (E_RNA)
where:
Base-Base interactions energy: -569.109
where: short stacking energy: -242.200
Base-Backbone interact. energy: 3.259
local terms energy: -260.255721
where:
bonds (distance) C4'-P energy: -53.521
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -69.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -776.437228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.437228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.437228 (E_RNA)
where:
Base-Base interactions energy: -518.823
where: short stacking energy: -225.154
Base-Backbone interact. energy: -0.842
local terms energy: -256.772119
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -57.129
flat angles C4'-P-C4' energy: -42.498
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -67.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -730.365295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.365295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.365295 (E_RNA)
where:
Base-Base interactions energy: -504.619
where: short stacking energy: -211.556
Base-Backbone interact. energy: -1.092
local terms energy: -224.653547
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -59.639
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: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -588.487417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.487417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.487417 (E_RNA)
where:
Base-Base interactions energy: -387.319
where: short stacking energy: -167.969
Base-Backbone interact. energy: -0.893
local terms energy: -200.275620
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -42.763
flat angles P-C4'-P energy: -35.162
tors. eta vs tors. theta energy: -37.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -257.988345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.988345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.988345 (E_RNA)
where:
Base-Base interactions energy: -114.261
where: short stacking energy: -103.739
Base-Backbone interact. energy: 2.388
local terms energy: -146.114548
where:
bonds (distance) C4'-P energy: -46.914
bonds (distance) P-C4' energy: -41.290
flat angles C4'-P-C4' energy: -36.530
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -228.350179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.350179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.350179 (E_RNA)
where:
Base-Base interactions energy: -70.774
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.607
local terms energy: -156.968820
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: 3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -956.549267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.549267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.549267 (E_RNA)
where:
Base-Base interactions energy: -659.591
where: short stacking energy: -286.439
Base-Backbone interact. energy: 0.306
local terms energy: -297.264191
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -62.472
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -85.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -951.670480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.670480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.670480 (E_RNA)
where:
Base-Base interactions energy: -658.642
where: short stacking energy: -279.951
Base-Backbone interact. energy: 0.484
local terms energy: -293.512413
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -87.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -875.897733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.897733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.897733 (E_RNA)
where:
Base-Base interactions energy: -594.405
where: short stacking energy: -256.787
Base-Backbone interact. energy: -1.522
local terms energy: -279.970802
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: -67.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -864.796740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.796740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.796740 (E_RNA)
where:
Base-Base interactions energy: -590.992
where: short stacking energy: -253.433
Base-Backbone interact. energy: -0.556
local terms energy: -273.248157
where:
bonds (distance) C4'-P energy: -49.680
bonds (distance) P-C4' energy: -54.807
flat angles C4'-P-C4' energy: -61.507
flat angles P-C4'-P energy: -35.304
tors. eta vs tors. theta energy: -71.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -813.633962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.633962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.633962 (E_RNA)
where:
Base-Base interactions energy: -561.880
where: short stacking energy: -243.508
Base-Backbone interact. energy: -1.334
local terms energy: -250.419473
where:
bonds (distance) C4'-P energy: -52.124
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -39.337
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: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -794.418567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.418567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.418567 (E_RNA)
where:
Base-Base interactions energy: -540.163
where: short stacking energy: -243.154
Base-Backbone interact. energy: -0.907
local terms energy: -253.348787
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -43.018
flat angles C4'-P-C4' energy: -55.018
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -69.286
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: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -758.335398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.335398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.335398 (E_RNA)
where:
Base-Base interactions energy: -537.055
where: short stacking energy: -224.414
Base-Backbone interact. energy: 0.687
local terms energy: -221.967748
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -41.058
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -62.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -553.828792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.828792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.828792 (E_RNA)
where:
Base-Base interactions energy: -373.415
where: short stacking energy: -162.352
Base-Backbone interact. energy: -1.908
local terms energy: -178.505953
where:
bonds (distance) C4'-P energy: -32.482
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -32.792
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -268.530980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.530980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.530980 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -82.149
Base-Backbone interact. energy: 0.308
local terms energy: -142.898365
where:
bonds (distance) C4'-P energy: -40.506
bonds (distance) P-C4' energy: -40.646
flat angles C4'-P-C4' energy: -36.177
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -4.375
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: 499
Temperature: 1.350000
Total energy: -241.308207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.308207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.308207 (E_RNA)
where:
Base-Base interactions energy: -84.769
where: short stacking energy: -78.318
Base-Backbone interact. energy: -1.031
local terms energy: -155.508068
where:
bonds (distance) C4'-P energy: -48.623
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -24.373
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -7.669
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: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -980.090164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.090164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.090164 (E_RNA)
where:
Base-Base interactions energy: -680.337
where: short stacking energy: -290.846
Base-Backbone interact. energy: -0.736
local terms energy: -299.017397
where:
bonds (distance) C4'-P energy: -55.981
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -59.288
flat angles P-C4'-P energy: -43.941
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: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -953.392415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.392415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.392415 (E_RNA)
where:
Base-Base interactions energy: -647.678
where: short stacking energy: -284.215
Base-Backbone interact. energy: 1.851
local terms energy: -307.565650
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -55.168
flat angles C4'-P-C4' energy: -63.820
flat angles P-C4'-P energy: -46.096
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: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -900.390686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.390686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.390686 (E_RNA)
where:
Base-Base interactions energy: -631.225
where: short stacking energy: -277.831
Base-Backbone interact. energy: 5.268
local terms energy: -274.434092
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -50.525
flat angles P-C4'-P energy: -42.585
tors. eta vs tors. theta energy: -78.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -849.847204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.847204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.847204 (E_RNA)
where:
Base-Base interactions energy: -581.686
where: short stacking energy: -253.509
Base-Backbone interact. energy: 0.425
local terms energy: -268.586101
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -49.917
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -74.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -827.001515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.001515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.001515 (E_RNA)
where:
Base-Base interactions energy: -560.238
where: short stacking energy: -245.358
Base-Backbone interact. energy: -0.093
local terms energy: -266.670276
where:
bonds (distance) C4'-P energy: -45.554
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -58.643
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -72.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -787.603417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.603417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.603417 (E_RNA)
where:
Base-Base interactions energy: -550.359
where: short stacking energy: -228.336
Base-Backbone interact. energy: -1.803
local terms energy: -235.440912
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -48.691
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -58.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -734.496857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.496857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.496857 (E_RNA)
where:
Base-Base interactions energy: -500.849
where: short stacking energy: -206.065
Base-Backbone interact. energy: -2.139
local terms energy: -231.509386
where:
bonds (distance) C4'-P energy: -39.874
bonds (distance) P-C4' energy: -54.089
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -53.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -551.802413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.802413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.802413 (E_RNA)
where:
Base-Base interactions energy: -359.495
where: short stacking energy: -132.998
Base-Backbone interact. energy: -0.602
local terms energy: -191.705352
where:
bonds (distance) C4'-P energy: -42.411
bonds (distance) P-C4' energy: -49.653
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -39.122
tors. eta vs tors. theta energy: -26.526
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: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -310.619179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.619179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.619179 (E_RNA)
where:
Base-Base interactions energy: -132.219
where: short stacking energy: -90.138
Base-Backbone interact. energy: 1.752
local terms energy: -180.152220
where:
bonds (distance) C4'-P energy: -48.710
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -9.268
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: 500
Temperature: 1.350000
Total energy: -265.963931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.963931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.963931 (E_RNA)
where:
Base-Base interactions energy: -101.847
where: short stacking energy: -71.758
Base-Backbone interact. energy: 0.324
local terms energy: -164.441113
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -52.740
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -23.297
tors. eta vs tors. theta energy: 9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -970.818538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.818538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.818538 (E_RNA)
where:
Base-Base interactions energy: -683.145
where: short stacking energy: -294.272
Base-Backbone interact. energy: -0.671
local terms energy: -287.002222
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -61.462
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -84.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -928.729541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.729541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.729541 (E_RNA)
where:
Base-Base interactions energy: -641.001
where: short stacking energy: -267.583
Base-Backbone interact. energy: -0.699
local terms energy: -287.029878
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -55.931
flat angles P-C4'-P energy: -44.263
tors. eta vs tors. theta energy: -81.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -879.644654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.644654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.644654 (E_RNA)
where:
Base-Base interactions energy: -595.809
where: short stacking energy: -257.887
Base-Backbone interact. energy: -2.137
local terms energy: -281.698668
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -47.956
tors. eta vs tors. theta energy: -68.760
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: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -877.838442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.838442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.838442 (E_RNA)
where:
Base-Base interactions energy: -611.405
where: short stacking energy: -270.678
Base-Backbone interact. energy: -0.472
local terms energy: -265.961303
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -49.233
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -78.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -843.236650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.236650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.236650 (E_RNA)
where:
Base-Base interactions energy: -573.622
where: short stacking energy: -255.225
Base-Backbone interact. energy: -0.941
local terms energy: -268.674160
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -49.308
flat angles C4'-P-C4' energy: -52.185
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: -81.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -764.658283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.658283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.658283 (E_RNA)
where:
Base-Base interactions energy: -535.538
where: short stacking energy: -237.856
Base-Backbone interact. energy: -1.707
local terms energy: -227.413837
where:
bonds (distance) C4'-P energy: -45.820
bonds (distance) P-C4' energy: -45.291
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -24.129
tors. eta vs tors. theta energy: -58.334
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: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -749.833540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.833540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.833540 (E_RNA)
where:
Base-Base interactions energy: -519.817
where: short stacking energy: -225.431
Base-Backbone interact. energy: -0.617
local terms energy: -229.399888
where:
bonds (distance) C4'-P energy: -37.374
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -37.609
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: 6
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -545.457256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.457256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.457256 (E_RNA)
where:
Base-Base interactions energy: -327.636
where: short stacking energy: -141.271
Base-Backbone interact. energy: -0.439
local terms energy: -217.382388
where:
bonds (distance) C4'-P energy: -48.702
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -44.742
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: -36.933
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: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -355.033930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.033930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.033930 (E_RNA)
where:
Base-Base interactions energy: -190.418
where: short stacking energy: -95.151
Base-Backbone interact. energy: 0.839
local terms energy: -165.455324
where:
bonds (distance) C4'-P energy: -41.627
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -45.011
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -218.995891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.995891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.995891 (E_RNA)
where:
Base-Base interactions energy: -71.220
where: short stacking energy: -56.310
Base-Backbone interact. energy: 0.331
local terms energy: -148.106666
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: 6.447
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)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 35286116
moves confirmed later: 37369844
all moves confirmed: 72655960
percent of confirmed moves: 9.081995
current total energy: -902.438006
recalc. total energy: -902.438006
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 35698027
moves confirmed later: 37909336
all moves confirmed: 73607363
percent of confirmed moves: 9.200920
current total energy: -852.854882
recalc. total energy: -852.854882
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 44786131
moves confirmed later: 49953167
all moves confirmed: 94739298
percent of confirmed moves: 11.842412
current total energy: -788.274196
recalc. total energy: -788.274196
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 46716625
moves confirmed later: 52497363
all moves confirmed: 99213988
percent of confirmed moves: 12.401749
current total energy: -771.543190
recalc. total energy: -771.543190
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 47354953
moves confirmed later: 53344951
all moves confirmed: 100699904
percent of confirmed moves: 12.587488
current total energy: -715.317039
recalc. total energy: -715.317039
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 51399359
moves confirmed later: 58651133
all moves confirmed: 110050492
percent of confirmed moves: 13.756312
current total energy: -653.067053
recalc. total energy: -653.067053
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 46647648
moves confirmed later: 52415394
all moves confirmed: 99063042
percent of confirmed moves: 12.382880
current total energy: -633.700330
recalc. total energy: -633.700330
replica 6 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 70525264
moves confirmed later: 83592147
all moves confirmed: 154117411
percent of confirmed moves: 19.264676
current total energy: -470.780970
recalc. total energy: -470.780970
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 53794605
moves confirmed later: 61690286
all moves confirmed: 115484891
percent of confirmed moves: 14.435611
current total energy: -273.836999
recalc. total energy: -273.836999
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 98683218
moves confirmed later: 119770681
all moves confirmed: 218453899
percent of confirmed moves: 27.306737
current total energy: -105.438577
recalc. total energy: -105.438577
out arg RESULTS//1/Denv1_dominio3_RNAco-3a18891c_01
Time of doing 8000000 iterations: 14167.144 seconds