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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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-da00c1ee/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: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -727.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233518 (E_RNA)
where:
Base-Base interactions energy: -479.522
where: short stacking energy: -187.893
Base-Backbone interact. energy: -0.577
local terms energy: -247.134597
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -866.182806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.182806 (E_RNA)
where:
Base-Base interactions energy: -592.626
where: short stacking energy: -257.901
Base-Backbone interact. energy: -0.654
local terms energy: -272.903255
where:
bonds (distance) C4'-P energy: -59.424
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -56.708
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -65.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -843.222645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.222645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.222645 (E_RNA)
where:
Base-Base interactions energy: -582.902
where: short stacking energy: -254.766
Base-Backbone interact. energy: 2.762
local terms energy: -263.082625
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -48.796
flat angles C4'-P-C4' energy: -65.028
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -61.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -804.355597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.355597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.355597 (E_RNA)
where:
Base-Base interactions energy: -558.961
where: short stacking energy: -234.530
Base-Backbone interact. energy: -0.715
local terms energy: -244.679681
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -53.947
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -55.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -793.957055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.957055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.957055 (E_RNA)
where:
Base-Base interactions energy: -548.827
where: short stacking energy: -234.145
Base-Backbone interact. energy: 2.414
local terms energy: -247.544072
where:
bonds (distance) C4'-P energy: -50.937
bonds (distance) P-C4' energy: -47.419
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: -59.415
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -808.212050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.212050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.212050 (E_RNA)
where:
Base-Base interactions energy: -558.591
where: short stacking energy: -247.002
Base-Backbone interact. energy: -1.451
local terms energy: -248.170225
where:
bonds (distance) C4'-P energy: -49.445
bonds (distance) P-C4' energy: -49.888
flat angles C4'-P-C4' energy: -47.882
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -66.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -753.224632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.224632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.224632 (E_RNA)
where:
Base-Base interactions energy: -511.866
where: short stacking energy: -206.822
Base-Backbone interact. energy: 0.651
local terms energy: -242.009330
where:
bonds (distance) C4'-P energy: -42.816
bonds (distance) P-C4' energy: -56.540
flat angles C4'-P-C4' energy: -58.391
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -755.436181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.436181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.436181 (E_RNA)
where:
Base-Base interactions energy: -514.351
where: short stacking energy: -216.213
Base-Backbone interact. energy: 4.476
local terms energy: -245.560361
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -53.575
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: -55.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -751.980094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.980094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.980094 (E_RNA)
where:
Base-Base interactions energy: -492.906
where: short stacking energy: -199.076
Base-Backbone interact. energy: -0.596
local terms energy: -258.478880
where:
bonds (distance) C4'-P energy: -53.952
bonds (distance) P-C4' energy: -59.652
flat angles C4'-P-C4' energy: -58.292
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -58.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -743.846561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.846561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.846561 (E_RNA)
where:
Base-Base interactions energy: -495.423
where: short stacking energy: -196.701
Base-Backbone interact. energy: -0.576
local terms energy: -247.847247
where:
bonds (distance) C4'-P energy: -48.306
bonds (distance) P-C4' energy: -59.141
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -57.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -738.589935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.589935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.589935 (E_RNA)
where:
Base-Base interactions energy: -489.875
where: short stacking energy: -195.667
Base-Backbone interact. energy: -0.560
local terms energy: -248.155528
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -61.065
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -56.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -858.728883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.728883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.728883 (E_RNA)
where:
Base-Base interactions energy: -577.604
where: short stacking energy: -252.316
Base-Backbone interact. energy: -0.193
local terms energy: -280.932292
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -54.176
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -68.770
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -858.330861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.330861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.330861 (E_RNA)
where:
Base-Base interactions energy: -580.233
where: short stacking energy: -267.429
Base-Backbone interact. energy: -1.575
local terms energy: -276.523240
where:
bonds (distance) C4'-P energy: -52.321
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -77.583
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: 3
Temperature: 1.000000
Total energy: -847.940016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.940016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.940016 (E_RNA)
where:
Base-Base interactions energy: -586.498
where: short stacking energy: -246.270
Base-Backbone interact. energy: 0.088
local terms energy: -261.530698
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -37.249
tors. eta vs tors. theta energy: -66.768
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -801.874445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.874445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.874445 (E_RNA)
where:
Base-Base interactions energy: -565.102
where: short stacking energy: -236.157
Base-Backbone interact. energy: -1.461
local terms energy: -235.311360
where:
bonds (distance) C4'-P energy: -46.884
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -34.341
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -794.574438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.574438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.574438 (E_RNA)
where:
Base-Base interactions energy: -552.494
where: short stacking energy: -226.291
Base-Backbone interact. energy: -2.138
local terms energy: -239.942109
where:
bonds (distance) C4'-P energy: -44.338
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -57.832
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -769.205873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.205873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.205873 (E_RNA)
where:
Base-Base interactions energy: -523.046
where: short stacking energy: -223.853
Base-Backbone interact. energy: 2.740
local terms energy: -248.900004
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -56.724
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -728.910189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.910189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.910189 (E_RNA)
where:
Base-Base interactions energy: -501.506
where: short stacking energy: -204.207
Base-Backbone interact. energy: -0.784
local terms energy: -226.620119
where:
bonds (distance) C4'-P energy: -53.244
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -44.716
tors. eta vs tors. theta energy: -49.638
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -717.543561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.543561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.543561 (E_RNA)
where:
Base-Base interactions energy: -509.849
where: short stacking energy: -190.483
Base-Backbone interact. energy: 0.629
local terms energy: -208.323657
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -42.899
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -57.290
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -680.407441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.407441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.407441 (E_RNA)
where:
Base-Base interactions energy: -461.729
where: short stacking energy: -191.878
Base-Backbone interact. energy: -0.943
local terms energy: -217.735942
where:
bonds (distance) C4'-P energy: -43.889
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -48.016
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -51.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -595.855218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.855218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.855218 (E_RNA)
where:
Base-Base interactions energy: -395.828
where: short stacking energy: -164.982
Base-Backbone interact. energy: -1.066
local terms energy: -198.960692
where:
bonds (distance) C4'-P energy: -42.156
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -42.545
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -41.342
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -875.249390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.249390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.249390 (E_RNA)
where:
Base-Base interactions energy: -579.706
where: short stacking energy: -254.535
Base-Backbone interact. energy: -2.713
local terms energy: -292.831099
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -50.110
flat angles C4'-P-C4' energy: -65.038
flat angles P-C4'-P energy: -42.556
tors. eta vs tors. theta energy: -73.755
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -858.185287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.185287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.185287 (E_RNA)
where:
Base-Base interactions energy: -590.558
where: short stacking energy: -253.832
Base-Backbone interact. energy: 0.013
local terms energy: -267.640158
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -53.789
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -76.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -850.082862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.082862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.082862 (E_RNA)
where:
Base-Base interactions energy: -586.850
where: short stacking energy: -244.658
Base-Backbone interact. energy: -1.029
local terms energy: -262.204624
where:
bonds (distance) C4'-P energy: -44.346
bonds (distance) P-C4' energy: -52.081
flat angles C4'-P-C4' energy: -57.246
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -73.312
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -817.346761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.346761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.346761 (E_RNA)
where:
Base-Base interactions energy: -564.856
where: short stacking energy: -239.849
Base-Backbone interact. energy: -0.009
local terms energy: -252.481645
where:
bonds (distance) C4'-P energy: -41.559
bonds (distance) P-C4' energy: -48.817
flat angles C4'-P-C4' energy: -53.361
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -68.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -782.733001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.733001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.733001 (E_RNA)
where:
Base-Base interactions energy: -539.924
where: short stacking energy: -210.348
Base-Backbone interact. energy: -2.000
local terms energy: -240.808834
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -53.490
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -56.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -731.911781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.911781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.911781 (E_RNA)
where:
Base-Base interactions energy: -514.941
where: short stacking energy: -214.616
Base-Backbone interact. energy: 1.120
local terms energy: -218.091266
where:
bonds (distance) C4'-P energy: -40.153
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -46.069
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -50.394
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -742.042990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.042990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.042990 (E_RNA)
where:
Base-Base interactions energy: -521.459
where: short stacking energy: -221.056
Base-Backbone interact. energy: -0.704
local terms energy: -219.879997
where:
bonds (distance) C4'-P energy: -45.078
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -48.665
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: -58.546
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -729.843425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.843425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.843425 (E_RNA)
where:
Base-Base interactions energy: -483.868
where: short stacking energy: -199.296
Base-Backbone interact. energy: 0.008
local terms energy: -245.983477
where:
bonds (distance) C4'-P energy: -49.512
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -51.194
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -56.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -570.333352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.333352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.333352 (E_RNA)
where:
Base-Base interactions energy: -364.755
where: short stacking energy: -174.710
Base-Backbone interact. energy: -0.471
local terms energy: -205.107626
where:
bonds (distance) C4'-P energy: -48.041
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -41.778
flat angles P-C4'-P energy: -35.625
tors. eta vs tors. theta energy: -40.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -599.746739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.746739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.746739 (E_RNA)
where:
Base-Base interactions energy: -415.029
where: short stacking energy: -161.875
Base-Backbone interact. energy: 3.575
local terms energy: -188.293595
where:
bonds (distance) C4'-P energy: -37.881
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -39.579
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -909.549906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.549906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.549906 (E_RNA)
where:
Base-Base interactions energy: -620.981
where: short stacking energy: -262.679
Base-Backbone interact. energy: -1.949
local terms energy: -286.619846
where:
bonds (distance) C4'-P energy: -58.312
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -45.487
tors. eta vs tors. theta energy: -71.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -863.105885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.105885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.105885 (E_RNA)
where:
Base-Base interactions energy: -592.461
where: short stacking energy: -259.471
Base-Backbone interact. energy: -1.383
local terms energy: -269.262324
where:
bonds (distance) C4'-P energy: -43.259
bonds (distance) P-C4' energy: -58.591
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -69.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -836.649101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.649101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.649101 (E_RNA)
where:
Base-Base interactions energy: -567.813
where: short stacking energy: -241.004
Base-Backbone interact. energy: -0.230
local terms energy: -268.605957
where:
bonds (distance) C4'-P energy: -54.859
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -36.402
tors. eta vs tors. theta energy: -70.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -825.444930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.444930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.444930 (E_RNA)
where:
Base-Base interactions energy: -563.178
where: short stacking energy: -253.956
Base-Backbone interact. energy: -0.539
local terms energy: -261.727766
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -55.175
flat angles P-C4'-P energy: -36.386
tors. eta vs tors. theta energy: -68.810
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -807.040265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.040265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.040265 (E_RNA)
where:
Base-Base interactions energy: -565.095
where: short stacking energy: -228.162
Base-Backbone interact. energy: -0.007
local terms energy: -241.938423
where:
bonds (distance) C4'-P energy: -57.030
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -53.176
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -749.171701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.171701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.171701 (E_RNA)
where:
Base-Base interactions energy: -513.003
where: short stacking energy: -212.524
Base-Backbone interact. energy: -0.520
local terms energy: -235.647975
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -46.556
flat angles C4'-P-C4' energy: -56.874
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -54.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -713.606468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.606468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.606468 (E_RNA)
where:
Base-Base interactions energy: -494.183
where: short stacking energy: -209.124
Base-Backbone interact. energy: -1.461
local terms energy: -217.962153
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -45.794
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -46.599
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: 5
Temperature: 1.250000
Total energy: -694.969199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.969199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.969199 (E_RNA)
where:
Base-Base interactions energy: -495.416
where: short stacking energy: -186.144
Base-Backbone interact. energy: -1.473
local terms energy: -198.079829
where:
bonds (distance) C4'-P energy: -39.613
bonds (distance) P-C4' energy: -46.887
flat angles C4'-P-C4' energy: -51.303
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -49.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -579.783171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.783171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.783171 (E_RNA)
where:
Base-Base interactions energy: -360.821
where: short stacking energy: -163.974
Base-Backbone interact. energy: -0.506
local terms energy: -218.456627
where:
bonds (distance) C4'-P energy: -42.949
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -32.342
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -614.435193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.435193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.435193 (E_RNA)
where:
Base-Base interactions energy: -408.273
where: short stacking energy: -164.785
Base-Backbone interact. energy: 0.244
local terms energy: -206.405906
where:
bonds (distance) C4'-P energy: -41.681
bonds (distance) P-C4' energy: -42.911
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: -45.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -895.662968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.662968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.662968 (E_RNA)
where:
Base-Base interactions energy: -610.992
where: short stacking energy: -253.270
Base-Backbone interact. energy: -1.255
local terms energy: -283.415821
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -43.890
tors. eta vs tors. theta energy: -75.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -838.886506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.886506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.886506 (E_RNA)
where:
Base-Base interactions energy: -579.354
where: short stacking energy: -242.065
Base-Backbone interact. energy: 0.050
local terms energy: -259.582094
where:
bonds (distance) C4'-P energy: -45.995
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -51.275
flat angles P-C4'-P energy: -44.641
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: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -822.941087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.941087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.941087 (E_RNA)
where:
Base-Base interactions energy: -564.647
where: short stacking energy: -230.215
Base-Backbone interact. energy: 0.341
local terms energy: -258.635442
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -61.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -793.816716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.816716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.816716 (E_RNA)
where:
Base-Base interactions energy: -538.214
where: short stacking energy: -227.063
Base-Backbone interact. energy: -0.672
local terms energy: -254.930392
where:
bonds (distance) C4'-P energy: -51.417
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -64.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -794.567216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.567216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.567216 (E_RNA)
where:
Base-Base interactions energy: -557.850
where: short stacking energy: -229.133
Base-Backbone interact. energy: -0.892
local terms energy: -235.824567
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -35.851
tors. eta vs tors. theta energy: -60.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -741.044044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.044044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.044044 (E_RNA)
where:
Base-Base interactions energy: -496.188
where: short stacking energy: -211.466
Base-Backbone interact. energy: 0.362
local terms energy: -245.218168
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -50.830
flat angles P-C4'-P energy: -31.429
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: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -736.754054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.754054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.754054 (E_RNA)
where:
Base-Base interactions energy: -509.895
where: short stacking energy: -204.990
Base-Backbone interact. energy: -1.425
local terms energy: -225.434321
where:
bonds (distance) C4'-P energy: -49.378
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -32.289
tors. eta vs tors. theta energy: -46.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -679.456085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.456085 (E_RNA)
where:
Base-Base interactions energy: -464.123
where: short stacking energy: -189.315
Base-Backbone interact. energy: -0.075
local terms energy: -215.258531
where:
bonds (distance) C4'-P energy: -41.474
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -48.457
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -620.340645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.340645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.340645 (E_RNA)
where:
Base-Base interactions energy: -428.048
where: short stacking energy: -178.077
Base-Backbone interact. energy: -0.823
local terms energy: -191.469415
where:
bonds (distance) C4'-P energy: -44.461
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -43.670
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -40.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -560.686458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.686458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.686458 (E_RNA)
where:
Base-Base interactions energy: -360.626
where: short stacking energy: -161.832
Base-Backbone interact. energy: 0.744
local terms energy: -200.805227
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -34.589
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: 7
Temperature: 0.900000
Total energy: -903.054375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.054375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.054375 (E_RNA)
where:
Base-Base interactions energy: -617.333
where: short stacking energy: -254.309
Base-Backbone interact. energy: -1.261
local terms energy: -284.460947
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: -68.140
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -836.400370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.400370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.400370 (E_RNA)
where:
Base-Base interactions energy: -574.907
where: short stacking energy: -239.933
Base-Backbone interact. energy: -0.764
local terms energy: -260.729530
where:
bonds (distance) C4'-P energy: -56.818
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -51.758
flat angles P-C4'-P energy: -35.794
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: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -821.576037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.576037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.576037 (E_RNA)
where:
Base-Base interactions energy: -556.548
where: short stacking energy: -239.888
Base-Backbone interact. energy: -1.138
local terms energy: -263.890271
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -35.845
tors. eta vs tors. theta energy: -65.354
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: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -834.295924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.295924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.295924 (E_RNA)
where:
Base-Base interactions energy: -577.868
where: short stacking energy: -222.545
Base-Backbone interact. energy: -0.725
local terms energy: -255.703078
where:
bonds (distance) C4'-P energy: -47.873
bonds (distance) P-C4' energy: -49.347
flat angles C4'-P-C4' energy: -47.896
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -66.478
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: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -794.571066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.571066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.571066 (E_RNA)
where:
Base-Base interactions energy: -538.394
where: short stacking energy: -221.928
Base-Backbone interact. energy: 1.674
local terms energy: -257.851929
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -58.874
flat angles C4'-P-C4' energy: -56.215
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -57.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -759.173126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.173126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.173126 (E_RNA)
where:
Base-Base interactions energy: -500.522
where: short stacking energy: -203.561
Base-Backbone interact. energy: -1.680
local terms energy: -256.970387
where:
bonds (distance) C4'-P energy: -53.143
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -56.513
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: -60.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -755.563733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.563733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.563733 (E_RNA)
where:
Base-Base interactions energy: -508.831
where: short stacking energy: -215.262
Base-Backbone interact. energy: -0.991
local terms energy: -245.741577
where:
bonds (distance) C4'-P energy: -53.927
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -60.471
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -624.955499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.955499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.955499 (E_RNA)
where:
Base-Base interactions energy: -424.612
where: short stacking energy: -177.887
Base-Backbone interact. energy: -0.314
local terms energy: -200.028754
where:
bonds (distance) C4'-P energy: -38.590
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -49.225
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: 7
Temperature: 1.300000
Total energy: -666.643833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.643833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.643833 (E_RNA)
where:
Base-Base interactions energy: -455.211
where: short stacking energy: -182.073
Base-Backbone interact. energy: -0.473
local terms energy: -210.959200
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -48.559
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -46.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -569.954686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.954686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.954686 (E_RNA)
where:
Base-Base interactions energy: -383.350
where: short stacking energy: -176.984
Base-Backbone interact. energy: -0.542
local terms energy: -186.062584
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -40.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -903.592626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.592626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.592626 (E_RNA)
where:
Base-Base interactions energy: -629.271
where: short stacking energy: -269.114
Base-Backbone interact. energy: 1.220
local terms energy: -275.541614
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -56.691
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -72.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -866.569768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.569768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.569768 (E_RNA)
where:
Base-Base interactions energy: -592.922
where: short stacking energy: -248.138
Base-Backbone interact. energy: -0.849
local terms energy: -272.798813
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -50.688
flat angles C4'-P-C4' energy: -61.389
flat angles P-C4'-P energy: -39.042
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: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -849.119553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.119553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.119553 (E_RNA)
where:
Base-Base interactions energy: -579.295
where: short stacking energy: -234.674
Base-Backbone interact. energy: -1.599
local terms energy: -268.224913
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -58.617
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -66.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -819.267706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.267706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.267706 (E_RNA)
where:
Base-Base interactions energy: -571.494
where: short stacking energy: -230.241
Base-Backbone interact. energy: -0.031
local terms energy: -247.743430
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -45.440
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -60.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -766.090282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.090282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.090282 (E_RNA)
where:
Base-Base interactions energy: -523.273
where: short stacking energy: -209.131
Base-Backbone interact. energy: -1.670
local terms energy: -241.147137
where:
bonds (distance) C4'-P energy: -52.735
bonds (distance) P-C4' energy: -46.561
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -49.596
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -771.938584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.938584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.938584 (E_RNA)
where:
Base-Base interactions energy: -513.064
where: short stacking energy: -211.433
Base-Backbone interact. energy: -0.849
local terms energy: -258.025332
where:
bonds (distance) C4'-P energy: -55.778
bonds (distance) P-C4' energy: -43.121
flat angles C4'-P-C4' energy: -58.439
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -61.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -753.807975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.807975 (E_RNA)
where:
Base-Base interactions energy: -517.212
where: short stacking energy: -228.911
Base-Backbone interact. energy: -0.552
local terms energy: -236.043512
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -50.475
flat angles P-C4'-P energy: -36.839
tors. eta vs tors. theta energy: -62.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -602.642840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.642840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.642840 (E_RNA)
where:
Base-Base interactions energy: -382.800
where: short stacking energy: -169.233
Base-Backbone interact. energy: -0.844
local terms energy: -218.998402
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -35.881
tors. eta vs tors. theta energy: -42.825
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: 8
Temperature: 1.300000
Total energy: -703.309245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.309245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.309245 (E_RNA)
where:
Base-Base interactions energy: -491.438
where: short stacking energy: -190.778
Base-Backbone interact. energy: 1.413
local terms energy: -213.284609
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -51.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -517.707894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.707894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.707894 (E_RNA)
where:
Base-Base interactions energy: -352.392
where: short stacking energy: -150.446
Base-Backbone interact. energy: 1.887
local terms energy: -167.203064
where:
bonds (distance) C4'-P energy: -45.942
bonds (distance) P-C4' energy: -44.987
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -27.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -907.951666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.951666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.951666 (E_RNA)
where:
Base-Base interactions energy: -627.901
where: short stacking energy: -261.786
Base-Backbone interact. energy: -1.005
local terms energy: -279.045782
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -58.120
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -41.848
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -889.258448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.258448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.258448 (E_RNA)
where:
Base-Base interactions energy: -617.395
where: short stacking energy: -266.577
Base-Backbone interact. energy: -0.643
local terms energy: -271.220357
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -52.936
flat angles P-C4'-P energy: -41.353
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: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -863.734907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.734907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.734907 (E_RNA)
where:
Base-Base interactions energy: -599.370
where: short stacking energy: -251.471
Base-Backbone interact. energy: -0.988
local terms energy: -263.377186
where:
bonds (distance) C4'-P energy: -49.840
bonds (distance) P-C4' energy: -54.654
flat angles C4'-P-C4' energy: -55.069
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -63.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -819.012853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.012853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.012853 (E_RNA)
where:
Base-Base interactions energy: -558.568
where: short stacking energy: -245.430
Base-Backbone interact. energy: -0.772
local terms energy: -259.671955
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -74.272
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: 9
Temperature: 1.100000
Total energy: -753.737099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.737099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.737099 (E_RNA)
where:
Base-Base interactions energy: -511.891
where: short stacking energy: -217.244
Base-Backbone interact. energy: -1.556
local terms energy: -240.290261
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -54.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -785.700269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.700269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.700269 (E_RNA)
where:
Base-Base interactions energy: -536.908
where: short stacking energy: -214.702
Base-Backbone interact. energy: -1.231
local terms energy: -247.560957
where:
bonds (distance) C4'-P energy: -47.920
bonds (distance) P-C4' energy: -51.067
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -55.662
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: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -750.605354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.605354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.605354 (E_RNA)
where:
Base-Base interactions energy: -520.987
where: short stacking energy: -222.261
Base-Backbone interact. energy: 0.190
local terms energy: -229.807966
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -49.564
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -59.021
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -720.660677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.660677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.660677 (E_RNA)
where:
Base-Base interactions energy: -479.831
where: short stacking energy: -191.581
Base-Backbone interact. energy: -0.289
local terms energy: -240.541347
where:
bonds (distance) C4'-P energy: -51.325
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -52.543
flat angles P-C4'-P energy: -35.987
tors. eta vs tors. theta energy: -61.539
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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -568.526926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.526926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.526926 (E_RNA)
where:
Base-Base interactions energy: -388.725
where: short stacking energy: -163.843
Base-Backbone interact. energy: -1.221
local terms energy: -178.581195
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -34.502
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -39.186
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -475.585502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.585502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.585502 (E_RNA)
where:
Base-Base interactions energy: -288.303
where: short stacking energy: -123.829
Base-Backbone interact. energy: -0.055
local terms energy: -187.227267
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -52.454
flat angles C4'-P-C4' energy: -42.323
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -887.391286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.391286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.391286 (E_RNA)
where:
Base-Base interactions energy: -597.217
where: short stacking energy: -266.980
Base-Backbone interact. energy: -0.373
local terms energy: -289.800930
where:
bonds (distance) C4'-P energy: -51.880
bonds (distance) P-C4' energy: -53.154
flat angles C4'-P-C4' energy: -60.795
flat angles P-C4'-P energy: -47.849
tors. eta vs tors. theta energy: -76.123
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: 10
Temperature: 0.950000
Total energy: -893.085860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.085860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.085860 (E_RNA)
where:
Base-Base interactions energy: -623.527
where: short stacking energy: -256.490
Base-Backbone interact. energy: -0.802
local terms energy: -268.756588
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -50.137
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -63.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -860.950460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.950460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.950460 (E_RNA)
where:
Base-Base interactions energy: -578.612
where: short stacking energy: -257.300
Base-Backbone interact. energy: 0.452
local terms energy: -282.790810
where:
bonds (distance) C4'-P energy: -51.859
bonds (distance) P-C4' energy: -47.548
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -75.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -828.771901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.771901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.771901 (E_RNA)
where:
Base-Base interactions energy: -556.706
where: short stacking energy: -247.512
Base-Backbone interact. energy: -0.643
local terms energy: -271.423227
where:
bonds (distance) C4'-P energy: -51.394
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -64.540
flat angles P-C4'-P energy: -38.042
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: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -793.469876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.469876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.469876 (E_RNA)
where:
Base-Base interactions energy: -555.727
where: short stacking energy: -232.840
Base-Backbone interact. energy: -0.438
local terms energy: -237.304812
where:
bonds (distance) C4'-P energy: -50.194
bonds (distance) P-C4' energy: -46.895
flat angles C4'-P-C4' energy: -56.154
flat angles P-C4'-P energy: -32.541
tors. eta vs tors. theta energy: -51.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -730.421856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.421856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.421856 (E_RNA)
where:
Base-Base interactions energy: -497.842
where: short stacking energy: -197.200
Base-Backbone interact. energy: -0.780
local terms energy: -231.800204
where:
bonds (distance) C4'-P energy: -49.198
bonds (distance) P-C4' energy: -49.250
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -754.766819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.766819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.766819 (E_RNA)
where:
Base-Base interactions energy: -531.454
where: short stacking energy: -220.524
Base-Backbone interact. energy: 0.376
local terms energy: -223.688805
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -48.540
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: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -684.324569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.324569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.324569 (E_RNA)
where:
Base-Base interactions energy: -477.203
where: short stacking energy: -193.370
Base-Backbone interact. energy: 0.639
local terms energy: -207.759974
where:
bonds (distance) C4'-P energy: -37.113
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -48.723
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -53.265
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -570.555360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.555360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.555360 (E_RNA)
where:
Base-Base interactions energy: -375.815
where: short stacking energy: -152.359
Base-Backbone interact. energy: 2.623
local terms energy: -197.363505
where:
bonds (distance) C4'-P energy: -47.870
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -37.987
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -39.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -421.258025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.258025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.258025 (E_RNA)
where:
Base-Base interactions energy: -258.522
where: short stacking energy: -121.504
Base-Backbone interact. energy: -0.947
local terms energy: -161.789372
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -39.428
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -876.527184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.527184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.527184 (E_RNA)
where:
Base-Base interactions energy: -602.229
where: short stacking energy: -257.035
Base-Backbone interact. energy: -0.471
local terms energy: -273.827218
where:
bonds (distance) C4'-P energy: -58.316
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -52.558
flat angles P-C4'-P energy: -36.644
tors. eta vs tors. theta energy: -68.500
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -916.791746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.791746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.791746 (E_RNA)
where:
Base-Base interactions energy: -627.222
where: short stacking energy: -262.781
Base-Backbone interact. energy: -0.559
local terms energy: -289.010405
where:
bonds (distance) C4'-P energy: -61.817
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -70.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -836.056476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.056476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.056476 (E_RNA)
where:
Base-Base interactions energy: -585.464
where: short stacking energy: -246.271
Base-Backbone interact. energy: -1.930
local terms energy: -248.662456
where:
bonds (distance) C4'-P energy: -45.461
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -58.199
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -60.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -837.019334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.019334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.019334 (E_RNA)
where:
Base-Base interactions energy: -569.267
where: short stacking energy: -251.622
Base-Backbone interact. energy: -0.185
local terms energy: -267.566919
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -77.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -796.788168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.788168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.788168 (E_RNA)
where:
Base-Base interactions energy: -559.301
where: short stacking energy: -237.932
Base-Backbone interact. energy: -1.311
local terms energy: -236.175914
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -52.284
flat angles C4'-P-C4' energy: -56.907
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -50.250
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: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -747.638298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.638298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.638298 (E_RNA)
where:
Base-Base interactions energy: -498.209
where: short stacking energy: -189.608
Base-Backbone interact. energy: -1.306
local terms energy: -248.123221
where:
bonds (distance) C4'-P energy: -50.082
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -60.412
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -52.078
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: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -737.105171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.105171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.105171 (E_RNA)
where:
Base-Base interactions energy: -508.507
where: short stacking energy: -209.315
Base-Backbone interact. energy: -1.533
local terms energy: -227.065879
where:
bonds (distance) C4'-P energy: -39.494
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -51.014
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -51.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -725.141044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.141044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.141044 (E_RNA)
where:
Base-Base interactions energy: -506.010
where: short stacking energy: -203.360
Base-Backbone interact. energy: -3.008
local terms energy: -216.122860
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -38.830
flat angles C4'-P-C4' energy: -49.950
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -47.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -543.312645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.312645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.312645 (E_RNA)
where:
Base-Base interactions energy: -349.125
where: short stacking energy: -163.692
Base-Backbone interact. energy: -2.823
local terms energy: -191.364501
where:
bonds (distance) C4'-P energy: -45.273
bonds (distance) P-C4' energy: -53.593
flat angles C4'-P-C4' energy: -37.908
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -417.179802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.179802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.179802 (E_RNA)
where:
Base-Base interactions energy: -251.783
where: short stacking energy: -118.082
Base-Backbone interact. energy: -1.408
local terms energy: -163.989487
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -911.896292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.896292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.896292 (E_RNA)
where:
Base-Base interactions energy: -624.291
where: short stacking energy: -259.999
Base-Backbone interact. energy: -1.117
local terms energy: -286.487730
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -59.694
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -72.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -860.349391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.349391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.349391 (E_RNA)
where:
Base-Base interactions energy: -593.301
where: short stacking energy: -243.282
Base-Backbone interact. energy: -1.335
local terms energy: -265.712735
where:
bonds (distance) C4'-P energy: -52.996
bonds (distance) P-C4' energy: -48.647
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -44.024
tors. eta vs tors. theta energy: -65.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -837.919094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.919094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.919094 (E_RNA)
where:
Base-Base interactions energy: -574.074
where: short stacking energy: -233.575
Base-Backbone interact. energy: -1.515
local terms energy: -262.329936
where:
bonds (distance) C4'-P energy: -51.097
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -50.337
flat angles P-C4'-P energy: -42.047
tors. eta vs tors. theta energy: -64.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -814.140159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.140159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.140159 (E_RNA)
where:
Base-Base interactions energy: -565.555
where: short stacking energy: -225.653
Base-Backbone interact. energy: -2.349
local terms energy: -246.236751
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -53.856
flat angles C4'-P-C4' energy: -50.044
flat angles P-C4'-P energy: -37.830
tors. eta vs tors. theta energy: -62.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -781.567359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.567359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.567359 (E_RNA)
where:
Base-Base interactions energy: -535.445
where: short stacking energy: -207.118
Base-Backbone interact. energy: -1.453
local terms energy: -244.669297
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -53.108
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: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -732.187177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.187177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.187177 (E_RNA)
where:
Base-Base interactions energy: -500.530
where: short stacking energy: -210.955
Base-Backbone interact. energy: 0.525
local terms energy: -232.181943
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -45.809
flat angles C4'-P-C4' energy: -50.300
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -49.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -723.917246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.917246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.917246 (E_RNA)
where:
Base-Base interactions energy: -492.010
where: short stacking energy: -194.375
Base-Backbone interact. energy: 1.272
local terms energy: -233.179036
where:
bonds (distance) C4'-P energy: -53.977
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -40.848
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -55.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -717.154367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.154367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.154367 (E_RNA)
where:
Base-Base interactions energy: -495.110
where: short stacking energy: -205.370
Base-Backbone interact. energy: 0.322
local terms energy: -222.366572
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -38.939
tors. eta vs tors. theta energy: -56.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -528.786624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.786624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.786624 (E_RNA)
where:
Base-Base interactions energy: -347.538
where: short stacking energy: -148.948
Base-Backbone interact. energy: -0.074
local terms energy: -181.174136
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -34.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -316.882794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.882794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.882794 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -97.080
Base-Backbone interact. energy: -0.204
local terms energy: -161.317654
where:
bonds (distance) C4'-P energy: -49.889
bonds (distance) P-C4' energy: -48.504
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -921.121024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.121024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.121024 (E_RNA)
where:
Base-Base interactions energy: -630.874
where: short stacking energy: -244.218
Base-Backbone interact. energy: -0.456
local terms energy: -289.791113
where:
bonds (distance) C4'-P energy: -56.769
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -64.278
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -66.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -879.841661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.841661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.841661 (E_RNA)
where:
Base-Base interactions energy: -605.811
where: short stacking energy: -239.037
Base-Backbone interact. energy: -2.747
local terms energy: -271.283718
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -61.224
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -40.286
tors. eta vs tors. theta energy: -64.713
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -835.617225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.617225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.617225 (E_RNA)
where:
Base-Base interactions energy: -560.913
where: short stacking energy: -230.120
Base-Backbone interact. energy: 0.631
local terms energy: -275.335415
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -57.812
flat angles C4'-P-C4' energy: -55.173
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: -71.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -838.014130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.014130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.014130 (E_RNA)
where:
Base-Base interactions energy: -581.430
where: short stacking energy: -238.582
Base-Backbone interact. energy: 1.172
local terms energy: -257.755749
where:
bonds (distance) C4'-P energy: -56.374
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -59.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -749.971772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.971772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.971772 (E_RNA)
where:
Base-Base interactions energy: -501.739
where: short stacking energy: -205.597
Base-Backbone interact. energy: -2.842
local terms energy: -245.390618
where:
bonds (distance) C4'-P energy: -52.159
bonds (distance) P-C4' energy: -58.088
flat angles C4'-P-C4' energy: -49.909
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -54.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -717.446752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.446752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.446752 (E_RNA)
where:
Base-Base interactions energy: -489.416
where: short stacking energy: -199.501
Base-Backbone interact. energy: 2.827
local terms energy: -230.857820
where:
bonds (distance) C4'-P energy: -50.131
bonds (distance) P-C4' energy: -50.680
flat angles C4'-P-C4' energy: -52.026
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -47.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -696.294957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.294957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.294957 (E_RNA)
where:
Base-Base interactions energy: -475.806
where: short stacking energy: -188.777
Base-Backbone interact. energy: 0.190
local terms energy: -220.679316
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -48.548
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -50.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -655.773396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.773396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.773396 (E_RNA)
where:
Base-Base interactions energy: -447.137
where: short stacking energy: -178.627
Base-Backbone interact. energy: -1.298
local terms energy: -207.337696
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -42.176
flat angles C4'-P-C4' energy: -47.069
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -43.205
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: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -565.708864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.708864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.708864 (E_RNA)
where:
Base-Base interactions energy: -367.894
where: short stacking energy: -164.971
Base-Backbone interact. energy: -1.136
local terms energy: -196.679136
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -48.514
flat angles C4'-P-C4' energy: -43.612
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -281.636729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.636729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.636729 (E_RNA)
where:
Base-Base interactions energy: -148.776
where: short stacking energy: -99.922
Base-Backbone interact. energy: 3.050
local terms energy: -135.911300
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -46.074
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -919.653440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.653440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.653440 (E_RNA)
where:
Base-Base interactions energy: -634.542
where: short stacking energy: -263.253
Base-Backbone interact. energy: -3.066
local terms energy: -282.045655
where:
bonds (distance) C4'-P energy: -55.306
bonds (distance) P-C4' energy: -47.229
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -41.281
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: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -868.941822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.941822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.941822 (E_RNA)
where:
Base-Base interactions energy: -601.764
where: short stacking energy: -224.144
Base-Backbone interact. energy: -3.028
local terms energy: -264.149480
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -61.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -853.371672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.371672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.371672 (E_RNA)
where:
Base-Base interactions energy: -586.089
where: short stacking energy: -244.206
Base-Backbone interact. energy: -1.069
local terms energy: -266.214196
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -48.652
flat angles C4'-P-C4' energy: -58.780
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -68.095
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: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -839.571261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.571261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.571261 (E_RNA)
where:
Base-Base interactions energy: -565.736
where: short stacking energy: -238.665
Base-Backbone interact. energy: -1.857
local terms energy: -271.978238
where:
bonds (distance) C4'-P energy: -45.898
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -65.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -776.521695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.521695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.521695 (E_RNA)
where:
Base-Base interactions energy: -540.262
where: short stacking energy: -212.770
Base-Backbone interact. energy: -0.926
local terms energy: -235.333698
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -53.562
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -54.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -741.622274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.622274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.622274 (E_RNA)
where:
Base-Base interactions energy: -500.379
where: short stacking energy: -221.086
Base-Backbone interact. energy: -0.635
local terms energy: -240.608488
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -42.201
flat angles C4'-P-C4' energy: -54.264
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: -62.098
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -746.006159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.006159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.006159 (E_RNA)
where:
Base-Base interactions energy: -539.424
where: short stacking energy: -211.427
Base-Backbone interact. energy: 1.103
local terms energy: -207.685380
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -42.422
flat angles C4'-P-C4' energy: -44.273
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -55.381
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -664.565944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.565944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.565944 (E_RNA)
where:
Base-Base interactions energy: -459.707
where: short stacking energy: -188.269
Base-Backbone interact. energy: 0.618
local terms energy: -205.477636
where:
bonds (distance) C4'-P energy: -42.866
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -48.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -551.843562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.843562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.843562 (E_RNA)
where:
Base-Base interactions energy: -346.552
where: short stacking energy: -160.043
Base-Backbone interact. energy: 1.692
local terms energy: -206.983492
where:
bonds (distance) C4'-P energy: -49.725
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -54.793
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -35.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -314.730771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.730771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.730771 (E_RNA)
where:
Base-Base interactions energy: -161.038
where: short stacking energy: -86.532
Base-Backbone interact. energy: 0.476
local terms energy: -154.169525
where:
bonds (distance) C4'-P energy: -52.033
bonds (distance) P-C4' energy: -45.589
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -918.495861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.495861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.495861 (E_RNA)
where:
Base-Base interactions energy: -643.231
where: short stacking energy: -258.537
Base-Backbone interact. energy: -0.308
local terms energy: -274.957752
where:
bonds (distance) C4'-P energy: -45.516
bonds (distance) P-C4' energy: -59.152
flat angles C4'-P-C4' energy: -60.502
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -66.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -858.742270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.742270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.742270 (E_RNA)
where:
Base-Base interactions energy: -587.308
where: short stacking energy: -241.971
Base-Backbone interact. energy: -1.103
local terms energy: -270.331235
where:
bonds (distance) C4'-P energy: -50.573
bonds (distance) P-C4' energy: -52.745
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -39.906
tors. eta vs tors. theta energy: -64.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -836.840737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.840737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.840737 (E_RNA)
where:
Base-Base interactions energy: -568.893
where: short stacking energy: -229.363
Base-Backbone interact. energy: -1.284
local terms energy: -266.663413
where:
bonds (distance) C4'-P energy: -53.820
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -60.258
flat angles P-C4'-P energy: -37.849
tors. eta vs tors. theta energy: -68.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -811.010298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.010298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.010298 (E_RNA)
where:
Base-Base interactions energy: -556.349
where: short stacking energy: -228.817
Base-Backbone interact. energy: -0.092
local terms energy: -254.568884
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -36.892
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: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -834.002975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.002975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.002975 (E_RNA)
where:
Base-Base interactions energy: -579.754
where: short stacking energy: -253.170
Base-Backbone interact. energy: 0.270
local terms energy: -254.519535
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -47.029
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -72.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -784.660009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.660009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.660009 (E_RNA)
where:
Base-Base interactions energy: -536.107
where: short stacking energy: -219.962
Base-Backbone interact. energy: -0.453
local terms energy: -248.100130
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -51.193
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -59.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -763.268389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.268389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.268389 (E_RNA)
where:
Base-Base interactions energy: -519.420
where: short stacking energy: -217.090
Base-Backbone interact. energy: 3.703
local terms energy: -247.551210
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -64.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -702.048184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.048184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.048184 (E_RNA)
where:
Base-Base interactions energy: -483.985
where: short stacking energy: -195.482
Base-Backbone interact. energy: 1.250
local terms energy: -219.313205
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -50.925
flat angles C4'-P-C4' energy: -49.906
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -41.513
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: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -504.054552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.054552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.054552 (E_RNA)
where:
Base-Base interactions energy: -310.463
where: short stacking energy: -134.697
Base-Backbone interact. energy: -1.210
local terms energy: -192.381026
where:
bonds (distance) C4'-P energy: -50.230
bonds (distance) P-C4' energy: -49.709
flat angles C4'-P-C4' energy: -47.037
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -321.180756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.180756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.180756 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -89.636
Base-Backbone interact. energy: -1.468
local terms energy: -160.789229
where:
bonds (distance) C4'-P energy: -45.253
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -888.905022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.905022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.905022 (E_RNA)
where:
Base-Base interactions energy: -613.032
where: short stacking energy: -266.426
Base-Backbone interact. energy: 0.239
local terms energy: -276.111364
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -63.793
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -80.819
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: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -867.343963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.343963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.343963 (E_RNA)
where:
Base-Base interactions energy: -595.605
where: short stacking energy: -251.018
Base-Backbone interact. energy: -0.610
local terms energy: -271.129553
where:
bonds (distance) C4'-P energy: -58.301
bonds (distance) P-C4' energy: -52.809
flat angles C4'-P-C4' energy: -58.731
flat angles P-C4'-P energy: -38.302
tors. eta vs tors. theta energy: -62.986
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: 16
Temperature: 1.000000
Total energy: -834.020055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.020055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.020055 (E_RNA)
where:
Base-Base interactions energy: -572.209
where: short stacking energy: -250.063
Base-Backbone interact. energy: -0.299
local terms energy: -261.512020
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -69.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -813.194800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.194800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.194800 (E_RNA)
where:
Base-Base interactions energy: -556.422
where: short stacking energy: -243.694
Base-Backbone interact. energy: 0.861
local terms energy: -257.633297
where:
bonds (distance) C4'-P energy: -43.803
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: -72.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -825.669728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.669728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.669728 (E_RNA)
where:
Base-Base interactions energy: -585.484
where: short stacking energy: -241.190
Base-Backbone interact. energy: -3.777
local terms energy: -236.407948
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -41.503
flat angles C4'-P-C4' energy: -53.310
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -61.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -746.064561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.064561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.064561 (E_RNA)
where:
Base-Base interactions energy: -499.782
where: short stacking energy: -214.750
Base-Backbone interact. energy: -3.047
local terms energy: -243.235526
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -52.914
flat angles C4'-P-C4' energy: -55.742
flat angles P-C4'-P energy: -35.529
tors. eta vs tors. theta energy: -60.026
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: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -765.188867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.188867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.188867 (E_RNA)
where:
Base-Base interactions energy: -520.078
where: short stacking energy: -229.128
Base-Backbone interact. energy: 0.541
local terms energy: -245.652517
where:
bonds (distance) C4'-P energy: -50.018
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -56.839
flat angles P-C4'-P energy: -31.753
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -659.869789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.869789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.869789 (E_RNA)
where:
Base-Base interactions energy: -451.043
where: short stacking energy: -189.554
Base-Backbone interact. energy: -1.574
local terms energy: -207.253219
where:
bonds (distance) C4'-P energy: -41.233
bonds (distance) P-C4' energy: -40.623
flat angles C4'-P-C4' energy: -57.802
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -42.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -542.743535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.743535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.743535 (E_RNA)
where:
Base-Base interactions energy: -357.956
where: short stacking energy: -152.548
Base-Backbone interact. energy: 0.488
local terms energy: -185.275329
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -43.392
flat angles C4'-P-C4' energy: -45.255
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -40.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -364.666515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.666515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.666515 (E_RNA)
where:
Base-Base interactions energy: -204.768
where: short stacking energy: -76.516
Base-Backbone interact. energy: -1.257
local terms energy: -158.641618
where:
bonds (distance) C4'-P energy: -44.247
bonds (distance) P-C4' energy: -45.092
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -4.644
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: 17
Temperature: 0.900000
Total energy: -905.612713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.612713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.612713 (E_RNA)
where:
Base-Base interactions energy: -622.805
where: short stacking energy: -267.979
Base-Backbone interact. energy: -0.424
local terms energy: -282.383664
where:
bonds (distance) C4'-P energy: -58.870
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -62.263
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -69.252
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: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -862.978453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.978453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.978453 (E_RNA)
where:
Base-Base interactions energy: -584.602
where: short stacking energy: -253.620
Base-Backbone interact. energy: -0.395
local terms energy: -277.981154
where:
bonds (distance) C4'-P energy: -42.296
bonds (distance) P-C4' energy: -59.200
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -45.703
tors. eta vs tors. theta energy: -71.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -845.354188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.354188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.354188 (E_RNA)
where:
Base-Base interactions energy: -569.448
where: short stacking energy: -232.378
Base-Backbone interact. energy: 1.887
local terms energy: -277.792711
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -59.021
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -66.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -854.660996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.660996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.660996 (E_RNA)
where:
Base-Base interactions energy: -590.542
where: short stacking energy: -260.090
Base-Backbone interact. energy: 0.302
local terms energy: -264.420350
where:
bonds (distance) C4'-P energy: -36.145
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -59.642
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -72.954
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -803.191895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.191895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.191895 (E_RNA)
where:
Base-Base interactions energy: -552.939
where: short stacking energy: -220.107
Base-Backbone interact. energy: -1.525
local terms energy: -248.727636
where:
bonds (distance) C4'-P energy: -45.853
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: -60.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -776.470256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.470256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.470256 (E_RNA)
where:
Base-Base interactions energy: -540.689
where: short stacking energy: -256.022
Base-Backbone interact. energy: 0.713
local terms energy: -236.494910
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -31.089
flat angles C4'-P-C4' energy: -48.207
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -68.455
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: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -723.970624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.970624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.970624 (E_RNA)
where:
Base-Base interactions energy: -492.855
where: short stacking energy: -214.826
Base-Backbone interact. energy: 0.449
local terms energy: -231.564679
where:
bonds (distance) C4'-P energy: -46.777
bonds (distance) P-C4' energy: -44.624
flat angles C4'-P-C4' energy: -52.671
flat angles P-C4'-P energy: -33.307
tors. eta vs tors. theta energy: -54.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -676.258794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.258794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.258794 (E_RNA)
where:
Base-Base interactions energy: -472.685
where: short stacking energy: -199.941
Base-Backbone interact. energy: -0.297
local terms energy: -203.277062
where:
bonds (distance) C4'-P energy: -42.507
bonds (distance) P-C4' energy: -43.416
flat angles C4'-P-C4' energy: -45.469
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -43.354
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: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -525.445643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.445643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.445643 (E_RNA)
where:
Base-Base interactions energy: -331.935
where: short stacking energy: -155.645
Base-Backbone interact. energy: 0.318
local terms energy: -193.828047
where:
bonds (distance) C4'-P energy: -41.770
bonds (distance) P-C4' energy: -43.102
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -327.820134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.820134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.820134 (E_RNA)
where:
Base-Base interactions energy: -162.691
where: short stacking energy: -92.722
Base-Backbone interact. energy: 0.390
local terms energy: -165.518753
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -897.320988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.320988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.320988 (E_RNA)
where:
Base-Base interactions energy: -612.805
where: short stacking energy: -260.882
Base-Backbone interact. energy: -1.634
local terms energy: -282.882488
where:
bonds (distance) C4'-P energy: -56.796
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -74.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -881.619764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.619764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.619764 (E_RNA)
where:
Base-Base interactions energy: -615.870
where: short stacking energy: -260.341
Base-Backbone interact. energy: -0.464
local terms energy: -265.285457
where:
bonds (distance) C4'-P energy: -43.444
bonds (distance) P-C4' energy: -47.782
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -69.034
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -854.419352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.419352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.419352 (E_RNA)
where:
Base-Base interactions energy: -583.576
where: short stacking energy: -253.816
Base-Backbone interact. energy: -1.687
local terms energy: -269.156464
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -51.329
flat angles C4'-P-C4' energy: -61.435
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: -63.748
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: 18
Temperature: 1.050000
Total energy: -826.183444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.183444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.183444 (E_RNA)
where:
Base-Base interactions energy: -568.255
where: short stacking energy: -230.024
Base-Backbone interact. energy: -1.719
local terms energy: -256.209270
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -62.331
flat angles P-C4'-P energy: -37.762
tors. eta vs tors. theta energy: -53.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -798.030135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.030135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.030135 (E_RNA)
where:
Base-Base interactions energy: -561.482
where: short stacking energy: -217.619
Base-Backbone interact. energy: -0.086
local terms energy: -236.461865
where:
bonds (distance) C4'-P energy: -43.248
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -47.982
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -67.925
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: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -743.640217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.640217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.640217 (E_RNA)
where:
Base-Base interactions energy: -514.199
where: short stacking energy: -213.979
Base-Backbone interact. energy: 0.932
local terms energy: -230.372902
where:
bonds (distance) C4'-P energy: -49.566
bonds (distance) P-C4' energy: -54.091
flat angles C4'-P-C4' energy: -44.141
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -53.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -731.562989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.562989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.562989 (E_RNA)
where:
Base-Base interactions energy: -488.400
where: short stacking energy: -210.959
Base-Backbone interact. energy: 1.003
local terms energy: -244.166524
where:
bonds (distance) C4'-P energy: -44.618
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -51.696
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -63.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -674.416263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.416263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.416263 (E_RNA)
where:
Base-Base interactions energy: -456.378
where: short stacking energy: -195.325
Base-Backbone interact. energy: -0.944
local terms energy: -217.094287
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -47.408
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -552.646393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.646393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.646393 (E_RNA)
where:
Base-Base interactions energy: -338.798
where: short stacking energy: -148.387
Base-Backbone interact. energy: 1.385
local terms energy: -215.233736
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -45.696
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -38.216
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: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -332.715768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.715768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.715768 (E_RNA)
where:
Base-Base interactions energy: -181.417
where: short stacking energy: -101.947
Base-Backbone interact. energy: 0.025
local terms energy: -151.324026
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -57.806
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -10.447
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: 19
Temperature: 0.900000
Total energy: -900.048817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.048817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.048817 (E_RNA)
where:
Base-Base interactions energy: -599.549
where: short stacking energy: -259.587
Base-Backbone interact. energy: -0.852
local terms energy: -299.648096
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -46.701
tors. eta vs tors. theta energy: -76.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -886.849235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.849235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.849235 (E_RNA)
where:
Base-Base interactions energy: -604.758
where: short stacking energy: -261.499
Base-Backbone interact. energy: 0.512
local terms energy: -282.602824
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -48.282
flat angles C4'-P-C4' energy: -62.129
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -76.950
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -840.913387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.913387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.913387 (E_RNA)
where:
Base-Base interactions energy: -566.376
where: short stacking energy: -246.913
Base-Backbone interact. energy: 0.542
local terms energy: -275.079708
where:
bonds (distance) C4'-P energy: -58.718
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -59.045
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: -69.683
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: 19
Temperature: 1.050000
Total energy: -825.468855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.468855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.468855 (E_RNA)
where:
Base-Base interactions energy: -554.896
where: short stacking energy: -237.241
Base-Backbone interact. energy: -0.676
local terms energy: -269.896610
where:
bonds (distance) C4'-P energy: -56.799
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -56.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -823.208412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.208412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.208412 (E_RNA)
where:
Base-Base interactions energy: -568.534
where: short stacking energy: -234.639
Base-Backbone interact. energy: 1.054
local terms energy: -255.728124
where:
bonds (distance) C4'-P energy: -42.757
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -68.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -767.378791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.378791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.378791 (E_RNA)
where:
Base-Base interactions energy: -527.764
where: short stacking energy: -230.145
Base-Backbone interact. energy: -1.064
local terms energy: -238.550566
where:
bonds (distance) C4'-P energy: -48.497
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -44.164
flat angles P-C4'-P energy: -35.217
tors. eta vs tors. theta energy: -66.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -758.014441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.014441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.014441 (E_RNA)
where:
Base-Base interactions energy: -511.453
where: short stacking energy: -212.451
Base-Backbone interact. energy: -1.864
local terms energy: -244.697674
where:
bonds (distance) C4'-P energy: -51.872
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -56.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -739.387942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.387942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.387942 (E_RNA)
where:
Base-Base interactions energy: -499.380
where: short stacking energy: -198.088
Base-Backbone interact. energy: -0.349
local terms energy: -239.659682
where:
bonds (distance) C4'-P energy: -53.711
bonds (distance) P-C4' energy: -45.756
flat angles C4'-P-C4' energy: -42.536
flat angles P-C4'-P energy: -30.642
tors. eta vs tors. theta energy: -67.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -550.918214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.918214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.918214 (E_RNA)
where:
Base-Base interactions energy: -381.859
where: short stacking energy: -161.803
Base-Backbone interact. energy: -1.926
local terms energy: -167.133175
where:
bonds (distance) C4'-P energy: -33.651
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -45.791
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -390.462195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.462195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.462195 (E_RNA)
where:
Base-Base interactions energy: -206.953
where: short stacking energy: -92.672
Base-Backbone interact. energy: 1.358
local terms energy: -184.867925
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -41.090
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -901.360964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.360964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.360964 (E_RNA)
where:
Base-Base interactions energy: -621.800
where: short stacking energy: -257.641
Base-Backbone interact. energy: -2.556
local terms energy: -277.005432
where:
bonds (distance) C4'-P energy: -55.191
bonds (distance) P-C4' energy: -56.810
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -40.420
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: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -895.003175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.003175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.003175 (E_RNA)
where:
Base-Base interactions energy: -608.351
where: short stacking energy: -265.516
Base-Backbone interact. energy: 1.136
local terms energy: -287.787686
where:
bonds (distance) C4'-P energy: -60.817
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -77.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -851.905891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.905891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.905891 (E_RNA)
where:
Base-Base interactions energy: -579.183
where: short stacking energy: -242.041
Base-Backbone interact. energy: -0.696
local terms energy: -272.026909
where:
bonds (distance) C4'-P energy: -53.987
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -58.993
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -69.546
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: 20
Temperature: 1.050000
Total energy: -800.406127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.406127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.406127 (E_RNA)
where:
Base-Base interactions energy: -550.040
where: short stacking energy: -228.988
Base-Backbone interact. energy: 3.398
local terms energy: -253.764139
where:
bonds (distance) C4'-P energy: -46.625
bonds (distance) P-C4' energy: -55.993
flat angles C4'-P-C4' energy: -51.583
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: -63.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -825.635041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.635041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.635041 (E_RNA)
where:
Base-Base interactions energy: -580.438
where: short stacking energy: -233.777
Base-Backbone interact. energy: -0.265
local terms energy: -244.932517
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -53.913
flat angles P-C4'-P energy: -35.236
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: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -756.631920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.631920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.631920 (E_RNA)
where:
Base-Base interactions energy: -511.523
where: short stacking energy: -205.446
Base-Backbone interact. energy: 0.486
local terms energy: -245.595414
where:
bonds (distance) C4'-P energy: -47.373
bonds (distance) P-C4' energy: -57.139
flat angles C4'-P-C4' energy: -48.023
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -55.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -771.471707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.471707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.471707 (E_RNA)
where:
Base-Base interactions energy: -528.680
where: short stacking energy: -220.687
Base-Backbone interact. energy: -2.191
local terms energy: -240.600445
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -39.658
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -64.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -709.095971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.095971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.095971 (E_RNA)
where:
Base-Base interactions energy: -494.416
where: short stacking energy: -181.275
Base-Backbone interact. energy: 3.575
local terms energy: -218.255169
where:
bonds (distance) C4'-P energy: -40.389
bonds (distance) P-C4' energy: -47.139
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -48.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -614.357875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.357875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.357875 (E_RNA)
where:
Base-Base interactions energy: -411.018
where: short stacking energy: -167.542
Base-Backbone interact. energy: 1.715
local terms energy: -205.055632
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -55.047
flat angles C4'-P-C4' energy: -51.529
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -390.121724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.121724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.121724 (E_RNA)
where:
Base-Base interactions energy: -193.282
where: short stacking energy: -97.843
Base-Backbone interact. energy: -0.777
local terms energy: -196.062338
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -58.915
flat angles C4'-P-C4' energy: -44.246
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -909.507282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.507282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.507282 (E_RNA)
where:
Base-Base interactions energy: -635.691
where: short stacking energy: -264.989
Base-Backbone interact. energy: 0.355
local terms energy: -274.171986
where:
bonds (distance) C4'-P energy: -51.568
bonds (distance) P-C4' energy: -52.492
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -74.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -891.749053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.749053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.749053 (E_RNA)
where:
Base-Base interactions energy: -617.080
where: short stacking energy: -260.423
Base-Backbone interact. energy: -0.665
local terms energy: -274.003973
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -57.456
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -71.012
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: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -848.356341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.356341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.356341 (E_RNA)
where:
Base-Base interactions energy: -585.238
where: short stacking energy: -254.230
Base-Backbone interact. energy: 0.821
local terms energy: -263.939694
where:
bonds (distance) C4'-P energy: -42.615
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -40.535
tors. eta vs tors. theta energy: -74.163
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -862.259291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.259291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.259291 (E_RNA)
where:
Base-Base interactions energy: -590.035
where: short stacking energy: -251.942
Base-Backbone interact. energy: -1.436
local terms energy: -270.788129
where:
bonds (distance) C4'-P energy: -53.287
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -54.975
flat angles P-C4'-P energy: -41.613
tors. eta vs tors. theta energy: -70.652
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: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -770.361626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.361626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.361626 (E_RNA)
where:
Base-Base interactions energy: -525.153
where: short stacking energy: -209.784
Base-Backbone interact. energy: -1.105
local terms energy: -244.103680
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -46.091
flat angles C4'-P-C4' energy: -51.988
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -57.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -769.786955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.786955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.786955 (E_RNA)
where:
Base-Base interactions energy: -519.434
where: short stacking energy: -212.044
Base-Backbone interact. energy: -0.964
local terms energy: -249.389128
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -50.766
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -35.775
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: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -741.637528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.637528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.637528 (E_RNA)
where:
Base-Base interactions energy: -516.280
where: short stacking energy: -211.243
Base-Backbone interact. energy: -0.394
local terms energy: -224.963527
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -45.426
flat angles P-C4'-P energy: -24.879
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -694.254631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.254631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.254631 (E_RNA)
where:
Base-Base interactions energy: -463.274
where: short stacking energy: -190.622
Base-Backbone interact. energy: 4.096
local terms energy: -235.076033
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -47.727
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -61.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -626.340636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.340636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.340636 (E_RNA)
where:
Base-Base interactions energy: -425.900
where: short stacking energy: -182.901
Base-Backbone interact. energy: -0.451
local terms energy: -199.989098
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -37.993
flat angles C4'-P-C4' energy: -46.600
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -52.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -363.640854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.640854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.640854 (E_RNA)
where:
Base-Base interactions energy: -197.853
where: short stacking energy: -109.811
Base-Backbone interact. energy: -1.124
local terms energy: -164.664241
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -40.020
flat angles P-C4'-P energy: -19.863
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -907.447790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.447790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.447790 (E_RNA)
where:
Base-Base interactions energy: -617.214
where: short stacking energy: -271.776
Base-Backbone interact. energy: -1.726
local terms energy: -288.507354
where:
bonds (distance) C4'-P energy: -57.042
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -59.277
flat angles P-C4'-P energy: -40.093
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -891.217049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.217049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.217049 (E_RNA)
where:
Base-Base interactions energy: -619.909
where: short stacking energy: -259.413
Base-Backbone interact. energy: -1.043
local terms energy: -270.265298
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -73.976
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: 22
Temperature: 1.000000
Total energy: -852.522782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.522782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.522782 (E_RNA)
where:
Base-Base interactions energy: -578.914
where: short stacking energy: -254.787
Base-Backbone interact. energy: -0.673
local terms energy: -272.935625
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -50.696
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -38.125
tors. eta vs tors. theta energy: -74.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -856.284142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.284142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.284142 (E_RNA)
where:
Base-Base interactions energy: -585.952
where: short stacking energy: -251.436
Base-Backbone interact. energy: -1.426
local terms energy: -268.906627
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -53.907
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -37.823
tors. eta vs tors. theta energy: -76.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -806.518826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.518826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.518826 (E_RNA)
where:
Base-Base interactions energy: -551.475
where: short stacking energy: -228.567
Base-Backbone interact. energy: -1.666
local terms energy: -253.378103
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -46.587
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -68.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -741.466751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.466751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.466751 (E_RNA)
where:
Base-Base interactions energy: -503.794
where: short stacking energy: -195.959
Base-Backbone interact. energy: 2.517
local terms energy: -240.189336
where:
bonds (distance) C4'-P energy: -47.549
bonds (distance) P-C4' energy: -59.598
flat angles C4'-P-C4' energy: -58.103
flat angles P-C4'-P energy: -34.688
tors. eta vs tors. theta energy: -40.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -744.021373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.021373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.021373 (E_RNA)
where:
Base-Base interactions energy: -503.305
where: short stacking energy: -203.656
Base-Backbone interact. energy: 1.730
local terms energy: -242.446496
where:
bonds (distance) C4'-P energy: -45.703
bonds (distance) P-C4' energy: -46.702
flat angles C4'-P-C4' energy: -55.507
flat angles P-C4'-P energy: -32.935
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: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -706.041099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.041099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.041099 (E_RNA)
where:
Base-Base interactions energy: -482.741
where: short stacking energy: -214.146
Base-Backbone interact. energy: -1.124
local terms energy: -222.175360
where:
bonds (distance) C4'-P energy: -41.436
bonds (distance) P-C4' energy: -44.496
flat angles C4'-P-C4' energy: -51.223
flat angles P-C4'-P energy: -25.678
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: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -642.098474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.098474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.098474 (E_RNA)
where:
Base-Base interactions energy: -427.265
where: short stacking energy: -187.786
Base-Backbone interact. energy: 1.296
local terms energy: -216.128959
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -46.359
flat angles C4'-P-C4' energy: -54.252
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -48.287
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: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -368.292429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.292429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.292429 (E_RNA)
where:
Base-Base interactions energy: -204.494
where: short stacking energy: -92.849
Base-Backbone interact. energy: -0.457
local terms energy: -163.341344
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -45.331
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -13.773
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: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -897.872251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.872251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.872251 (E_RNA)
where:
Base-Base interactions energy: -615.859
where: short stacking energy: -270.426
Base-Backbone interact. energy: -0.123
local terms energy: -281.889698
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -48.735
tors. eta vs tors. theta energy: -75.464
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: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -910.293461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.293461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.293461 (E_RNA)
where:
Base-Base interactions energy: -634.685
where: short stacking energy: -269.285
Base-Backbone interact. energy: 0.062
local terms energy: -275.670980
where:
bonds (distance) C4'-P energy: -54.624
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -58.677
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -75.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -828.110703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.110703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.110703 (E_RNA)
where:
Base-Base interactions energy: -567.025
where: short stacking energy: -254.804
Base-Backbone interact. energy: -0.274
local terms energy: -260.811476
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -48.931
flat angles C4'-P-C4' energy: -55.445
flat angles P-C4'-P energy: -41.371
tors. eta vs tors. theta energy: -67.250
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -868.665268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.665268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.665268 (E_RNA)
where:
Base-Base interactions energy: -594.180
where: short stacking energy: -258.816
Base-Backbone interact. energy: 0.172
local terms energy: -274.657027
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -55.095
flat angles C4'-P-C4' energy: -56.757
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -79.961
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: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -811.555926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.555926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.555926 (E_RNA)
where:
Base-Base interactions energy: -569.959
where: short stacking energy: -238.237
Base-Backbone interact. energy: 1.517
local terms energy: -243.113724
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -45.683
flat angles C4'-P-C4' energy: -55.727
flat angles P-C4'-P energy: -33.307
tors. eta vs tors. theta energy: -65.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -754.767343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.767343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.767343 (E_RNA)
where:
Base-Base interactions energy: -507.595
where: short stacking energy: -202.415
Base-Backbone interact. energy: 0.210
local terms energy: -247.381651
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -54.603
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -59.491
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: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -742.031644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.031644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.031644 (E_RNA)
where:
Base-Base interactions energy: -513.088
where: short stacking energy: -201.221
Base-Backbone interact. energy: 0.014
local terms energy: -228.957808
where:
bonds (distance) C4'-P energy: -45.833
bonds (distance) P-C4' energy: -48.923
flat angles C4'-P-C4' energy: -44.725
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -59.849
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -713.273449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.273449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.273449 (E_RNA)
where:
Base-Base interactions energy: -474.151
where: short stacking energy: -209.935
Base-Backbone interact. energy: -0.727
local terms energy: -238.394679
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -45.094
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -57.663
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: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -671.657824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.657824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.657824 (E_RNA)
where:
Base-Base interactions energy: -445.234
where: short stacking energy: -183.155
Base-Backbone interact. energy: 0.158
local terms energy: -226.581894
where:
bonds (distance) C4'-P energy: -41.070
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -28.419
tors. eta vs tors. theta energy: -50.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -352.620081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.620081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.620081 (E_RNA)
where:
Base-Base interactions energy: -184.849
where: short stacking energy: -98.608
Base-Backbone interact. energy: -1.079
local terms energy: -166.691330
where:
bonds (distance) C4'-P energy: -38.008
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -44.465
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -7.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -916.459917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.459917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.459917 (E_RNA)
where:
Base-Base interactions energy: -637.983
where: short stacking energy: -258.909
Base-Backbone interact. energy: -0.435
local terms energy: -278.041513
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -56.330
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -67.563
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: 24
Temperature: 0.950000
Total energy: -892.883849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.883849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.883849 (E_RNA)
where:
Base-Base interactions energy: -617.410
where: short stacking energy: -272.330
Base-Backbone interact. energy: 0.324
local terms energy: -275.797433
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -75.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -868.249958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.249958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.249958 (E_RNA)
where:
Base-Base interactions energy: -588.345
where: short stacking energy: -253.077
Base-Backbone interact. energy: 0.590
local terms energy: -280.494468
where:
bonds (distance) C4'-P energy: -49.871
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -77.580
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: 24
Temperature: 1.050000
Total energy: -834.379964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.379964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.379964 (E_RNA)
where:
Base-Base interactions energy: -563.140
where: short stacking energy: -250.247
Base-Backbone interact. energy: -0.707
local terms energy: -270.533292
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -72.049
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -798.944221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.944221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.944221 (E_RNA)
where:
Base-Base interactions energy: -546.638
where: short stacking energy: -237.469
Base-Backbone interact. energy: -0.638
local terms energy: -251.668543
where:
bonds (distance) C4'-P energy: -51.330
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -58.243
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -63.695
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: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -741.082323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.082323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.082323 (E_RNA)
where:
Base-Base interactions energy: -510.662
where: short stacking energy: -232.213
Base-Backbone interact. energy: -0.638
local terms energy: -229.782699
where:
bonds (distance) C4'-P energy: -45.233
bonds (distance) P-C4' energy: -46.468
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -60.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -761.787611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.787611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.787611 (E_RNA)
where:
Base-Base interactions energy: -518.560
where: short stacking energy: -203.701
Base-Backbone interact. energy: 0.929
local terms energy: -244.155978
where:
bonds (distance) C4'-P energy: -50.285
bonds (distance) P-C4' energy: -53.353
flat angles C4'-P-C4' energy: -45.967
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -59.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -691.135485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.135485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.135485 (E_RNA)
where:
Base-Base interactions energy: -472.910
where: short stacking energy: -197.388
Base-Backbone interact. energy: -0.736
local terms energy: -217.489573
where:
bonds (distance) C4'-P energy: -47.008
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -657.855810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.855810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.855810 (E_RNA)
where:
Base-Base interactions energy: -439.504
where: short stacking energy: -195.864
Base-Backbone interact. energy: -0.142
local terms energy: -218.209784
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -60.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -356.907954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.907954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.907954 (E_RNA)
where:
Base-Base interactions energy: -184.687
where: short stacking energy: -107.559
Base-Backbone interact. energy: 0.200
local terms energy: -172.420876
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -921.774067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.774067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.774067 (E_RNA)
where:
Base-Base interactions energy: -631.503
where: short stacking energy: -265.736
Base-Backbone interact. energy: -0.522
local terms energy: -289.748968
where:
bonds (distance) C4'-P energy: -49.154
bonds (distance) P-C4' energy: -59.430
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -75.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -876.548183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.548183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.548183 (E_RNA)
where:
Base-Base interactions energy: -593.543
where: short stacking energy: -259.947
Base-Backbone interact. energy: -1.143
local terms energy: -281.861502
where:
bonds (distance) C4'-P energy: -52.023
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -59.460
flat angles P-C4'-P energy: -33.233
tors. eta vs tors. theta energy: -76.949
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -863.138844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.138844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.138844 (E_RNA)
where:
Base-Base interactions energy: -589.534
where: short stacking energy: -253.103
Base-Backbone interact. energy: -0.157
local terms energy: -273.447649
where:
bonds (distance) C4'-P energy: -49.071
bonds (distance) P-C4' energy: -50.550
flat angles C4'-P-C4' energy: -62.494
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -73.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -818.206585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.206585 (E_RNA)
where:
Base-Base interactions energy: -558.003
where: short stacking energy: -250.731
Base-Backbone interact. energy: -1.872
local terms energy: -258.331400
where:
bonds (distance) C4'-P energy: -44.054
bonds (distance) P-C4' energy: -54.226
flat angles C4'-P-C4' energy: -55.179
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -69.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -834.164639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.164639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.164639 (E_RNA)
where:
Base-Base interactions energy: -571.132
where: short stacking energy: -242.461
Base-Backbone interact. energy: -0.655
local terms energy: -262.378005
where:
bonds (distance) C4'-P energy: -40.052
bonds (distance) P-C4' energy: -51.375
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -70.477
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: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -737.561884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.561884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.561884 (E_RNA)
where:
Base-Base interactions energy: -511.097
where: short stacking energy: -209.034
Base-Backbone interact. energy: 0.943
local terms energy: -227.408665
where:
bonds (distance) C4'-P energy: -47.249
bonds (distance) P-C4' energy: -41.641
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -53.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -744.595307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.595307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.595307 (E_RNA)
where:
Base-Base interactions energy: -503.804
where: short stacking energy: -214.839
Base-Backbone interact. energy: -0.879
local terms energy: -239.912983
where:
bonds (distance) C4'-P energy: -52.202
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -61.133
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: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -665.764780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.764780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.764780 (E_RNA)
where:
Base-Base interactions energy: -454.935
where: short stacking energy: -194.071
Base-Backbone interact. energy: -2.694
local terms energy: -208.135710
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -45.545
flat angles C4'-P-C4' energy: -51.525
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -48.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -636.201930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.201930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.201930 (E_RNA)
where:
Base-Base interactions energy: -427.420
where: short stacking energy: -182.689
Base-Backbone interact. energy: -1.420
local terms energy: -207.361939
where:
bonds (distance) C4'-P energy: -36.204
bonds (distance) P-C4' energy: -46.801
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -26.027
tors. eta vs tors. theta energy: -48.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -344.557450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.557450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.557450 (E_RNA)
where:
Base-Base interactions energy: -178.602
where: short stacking energy: -107.056
Base-Backbone interact. energy: -0.537
local terms energy: -165.418911
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -48.218
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -900.418958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.418958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.418958 (E_RNA)
where:
Base-Base interactions energy: -609.116
where: short stacking energy: -250.500
Base-Backbone interact. energy: -0.838
local terms energy: -290.465716
where:
bonds (distance) C4'-P energy: -58.016
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -68.201
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -70.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -905.495302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.495302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.495302 (E_RNA)
where:
Base-Base interactions energy: -626.393
where: short stacking energy: -257.912
Base-Backbone interact. energy: -0.919
local terms energy: -278.183115
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -58.355
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -73.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -872.996806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.996806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.996806 (E_RNA)
where:
Base-Base interactions energy: -597.800
where: short stacking energy: -247.258
Base-Backbone interact. energy: -1.655
local terms energy: -273.541748
where:
bonds (distance) C4'-P energy: -47.502
bonds (distance) P-C4' energy: -51.550
flat angles C4'-P-C4' energy: -61.711
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -68.095
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: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -850.537429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.537429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.537429 (E_RNA)
where:
Base-Base interactions energy: -586.054
where: short stacking energy: -239.756
Base-Backbone interact. energy: -1.559
local terms energy: -262.923902
where:
bonds (distance) C4'-P energy: -40.303
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -72.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -785.654634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.654634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.654634 (E_RNA)
where:
Base-Base interactions energy: -531.100
where: short stacking energy: -210.490
Base-Backbone interact. energy: -1.452
local terms energy: -253.102449
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -49.030
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -800.979767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.979767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.979767 (E_RNA)
where:
Base-Base interactions energy: -551.603
where: short stacking energy: -239.473
Base-Backbone interact. energy: 0.004
local terms energy: -249.380207
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -743.336745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.336745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.336745 (E_RNA)
where:
Base-Base interactions energy: -496.525
where: short stacking energy: -206.452
Base-Backbone interact. energy: -0.484
local terms energy: -246.327856
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -46.110
flat angles C4'-P-C4' energy: -64.208
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -60.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -678.755065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.755065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.755065 (E_RNA)
where:
Base-Base interactions energy: -453.080
where: short stacking energy: -183.306
Base-Backbone interact. energy: 1.102
local terms energy: -226.776639
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -46.615
flat angles C4'-P-C4' energy: -57.224
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -50.714
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -650.978960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.978960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.978960 (E_RNA)
where:
Base-Base interactions energy: -417.493
where: short stacking energy: -178.105
Base-Backbone interact. energy: -0.757
local terms energy: -232.728285
where:
bonds (distance) C4'-P energy: -44.989
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -53.166
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -55.484
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: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -361.435069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.435069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.435069 (E_RNA)
where:
Base-Base interactions energy: -194.467
where: short stacking energy: -89.115
Base-Backbone interact. energy: -0.030
local terms energy: -166.938196
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -30.484
tors. eta vs tors. theta energy: -9.603
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: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -931.907625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.907625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.907625 (E_RNA)
where:
Base-Base interactions energy: -639.779
where: short stacking energy: -259.845
Base-Backbone interact. energy: -0.801
local terms energy: -291.327469
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -59.913
flat angles C4'-P-C4' energy: -59.704
flat angles P-C4'-P energy: -45.044
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -903.768785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.768785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.768785 (E_RNA)
where:
Base-Base interactions energy: -621.255
where: short stacking energy: -285.518
Base-Backbone interact. energy: -0.890
local terms energy: -281.623838
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -61.969
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -78.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -856.614608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.614608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.614608 (E_RNA)
where:
Base-Base interactions energy: -590.070
where: short stacking energy: -254.237
Base-Backbone interact. energy: -1.544
local terms energy: -265.000218
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -53.628
flat angles C4'-P-C4' energy: -57.293
flat angles P-C4'-P energy: -38.867
tors. eta vs tors. theta energy: -68.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -824.378738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.378738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.378738 (E_RNA)
where:
Base-Base interactions energy: -559.279
where: short stacking energy: -217.401
Base-Backbone interact. energy: -0.423
local terms energy: -264.677097
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -53.858
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -62.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -769.512166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.512166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.512166 (E_RNA)
where:
Base-Base interactions energy: -540.017
where: short stacking energy: -212.353
Base-Backbone interact. energy: -0.225
local terms energy: -229.269862
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -48.143
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -54.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -773.046585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.046585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.046585 (E_RNA)
where:
Base-Base interactions energy: -546.210
where: short stacking energy: -218.746
Base-Backbone interact. energy: 0.817
local terms energy: -227.652991
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -23.368
tors. eta vs tors. theta energy: -62.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -744.807818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.807818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.807818 (E_RNA)
where:
Base-Base interactions energy: -507.210
where: short stacking energy: -205.377
Base-Backbone interact. energy: -0.563
local terms energy: -237.034824
where:
bonds (distance) C4'-P energy: -39.745
bonds (distance) P-C4' energy: -43.611
flat angles C4'-P-C4' energy: -59.329
flat angles P-C4'-P energy: -38.590
tors. eta vs tors. theta energy: -55.760
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -677.623511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.623511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.623511 (E_RNA)
where:
Base-Base interactions energy: -447.438
where: short stacking energy: -191.358
Base-Backbone interact. energy: 0.052
local terms energy: -230.237499
where:
bonds (distance) C4'-P energy: -43.789
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -51.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -683.697077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.697077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.697077 (E_RNA)
where:
Base-Base interactions energy: -469.953
where: short stacking energy: -219.191
Base-Backbone interact. energy: 0.271
local terms energy: -214.015169
where:
bonds (distance) C4'-P energy: -38.282
bonds (distance) P-C4' energy: -52.098
flat angles C4'-P-C4' energy: -44.805
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -54.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -393.295800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.295800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.295800 (E_RNA)
where:
Base-Base interactions energy: -226.981
where: short stacking energy: -138.116
Base-Backbone interact. energy: 1.697
local terms energy: -168.012142
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -35.889
flat angles C4'-P-C4' energy: -46.884
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -903.571450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.571450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.571450 (E_RNA)
where:
Base-Base interactions energy: -615.188
where: short stacking energy: -260.000
Base-Backbone interact. energy: -1.450
local terms energy: -286.933851
where:
bonds (distance) C4'-P energy: -58.000
bonds (distance) P-C4' energy: -54.396
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -35.643
tors. eta vs tors. theta energy: -75.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -880.396074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.396074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.396074 (E_RNA)
where:
Base-Base interactions energy: -595.332
where: short stacking energy: -235.136
Base-Backbone interact. energy: -1.880
local terms energy: -283.183954
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -59.441
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -67.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -850.019082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.019082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.019082 (E_RNA)
where:
Base-Base interactions energy: -590.283
where: short stacking energy: -252.149
Base-Backbone interact. energy: 0.036
local terms energy: -259.772277
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -65.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -828.178008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.178008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.178008 (E_RNA)
where:
Base-Base interactions energy: -574.769
where: short stacking energy: -248.769
Base-Backbone interact. energy: -0.716
local terms energy: -252.693516
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -28.408
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: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -749.076714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.076714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.076714 (E_RNA)
where:
Base-Base interactions energy: -505.997
where: short stacking energy: -200.328
Base-Backbone interact. energy: 0.248
local terms energy: -243.328264
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -53.241
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -38.772
tors. eta vs tors. theta energy: -55.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -728.290862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.290862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.290862 (E_RNA)
where:
Base-Base interactions energy: -494.651
where: short stacking energy: -199.128
Base-Backbone interact. energy: -1.350
local terms energy: -232.289039
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -45.204
flat angles C4'-P-C4' energy: -55.723
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: -49.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -708.958404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.958404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.958404 (E_RNA)
where:
Base-Base interactions energy: -460.997
where: short stacking energy: -198.110
Base-Backbone interact. energy: 0.602
local terms energy: -248.562910
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -38.355
tors. eta vs tors. theta energy: -50.163
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -674.078152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.078152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.078152 (E_RNA)
where:
Base-Base interactions energy: -450.990
where: short stacking energy: -214.416
Base-Backbone interact. energy: 0.513
local terms energy: -223.600724
where:
bonds (distance) C4'-P energy: -41.988
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -48.282
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -58.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -747.183573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.183573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.183573 (E_RNA)
where:
Base-Base interactions energy: -540.844
where: short stacking energy: -221.172
Base-Backbone interact. energy: 0.679
local terms energy: -207.017664
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -47.020
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: -53.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -342.050264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.050264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.050264 (E_RNA)
where:
Base-Base interactions energy: -186.878
where: short stacking energy: -94.999
Base-Backbone interact. energy: -0.526
local terms energy: -154.646442
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -49.761
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -0.633
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: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -897.920632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.920632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.920632 (E_RNA)
where:
Base-Base interactions energy: -620.192
where: short stacking energy: -257.568
Base-Backbone interact. energy: -0.944
local terms energy: -276.785076
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -56.110
flat angles C4'-P-C4' energy: -57.736
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -74.530
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: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -857.610655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.610655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.610655 (E_RNA)
where:
Base-Base interactions energy: -605.600
where: short stacking energy: -242.396
Base-Backbone interact. energy: 5.890
local terms energy: -257.900574
where:
bonds (distance) C4'-P energy: -44.559
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -36.284
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -890.205574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.205574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.205574 (E_RNA)
where:
Base-Base interactions energy: -613.460
where: short stacking energy: -254.133
Base-Backbone interact. energy: -0.392
local terms energy: -276.353268
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: -67.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -852.220336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.220336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.220336 (E_RNA)
where:
Base-Base interactions energy: -590.595
where: short stacking energy: -257.021
Base-Backbone interact. energy: -0.447
local terms energy: -261.178011
where:
bonds (distance) C4'-P energy: -40.676
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -60.548
flat angles P-C4'-P energy: -31.395
tors. eta vs tors. theta energy: -69.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -765.642484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.642484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.642484 (E_RNA)
where:
Base-Base interactions energy: -518.534
where: short stacking energy: -226.665
Base-Backbone interact. energy: -0.626
local terms energy: -246.481951
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -58.431
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -66.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -742.863010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.863010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.863010 (E_RNA)
where:
Base-Base interactions energy: -522.265
where: short stacking energy: -214.932
Base-Backbone interact. energy: 1.259
local terms energy: -221.857672
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -52.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -715.311662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.311662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.311662 (E_RNA)
where:
Base-Base interactions energy: -486.757
where: short stacking energy: -206.712
Base-Backbone interact. energy: -0.145
local terms energy: -228.409915
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -60.380
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -47.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -660.986042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.986042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.986042 (E_RNA)
where:
Base-Base interactions energy: -442.029
where: short stacking energy: -200.959
Base-Backbone interact. energy: 1.954
local terms energy: -220.910944
where:
bonds (distance) C4'-P energy: -41.636
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -50.342
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: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -617.072693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.072693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.072693 (E_RNA)
where:
Base-Base interactions energy: -408.104
where: short stacking energy: -170.812
Base-Backbone interact. energy: 4.959
local terms energy: -213.928107
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -39.986
flat angles P-C4'-P energy: -33.911
tors. eta vs tors. theta energy: -41.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -360.602458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.602458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.602458 (E_RNA)
where:
Base-Base interactions energy: -200.765
where: short stacking energy: -102.636
Base-Backbone interact. energy: -0.121
local terms energy: -159.716802
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -19.575
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: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -896.095836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.095836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.095836 (E_RNA)
where:
Base-Base interactions energy: -619.043
where: short stacking energy: -276.407
Base-Backbone interact. energy: -1.365
local terms energy: -275.687511
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -52.113
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -41.935
tors. eta vs tors. theta energy: -75.496
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: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -885.262524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.262524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.262524 (E_RNA)
where:
Base-Base interactions energy: -592.807
where: short stacking energy: -254.753
Base-Backbone interact. energy: 0.950
local terms energy: -293.405705
where:
bonds (distance) C4'-P energy: -54.047
bonds (distance) P-C4' energy: -61.288
flat angles C4'-P-C4' energy: -57.431
flat angles P-C4'-P energy: -44.185
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: 30
Temperature: 1.000000
Total energy: -869.921830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.921830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.921830 (E_RNA)
where:
Base-Base interactions energy: -598.781
where: short stacking energy: -259.358
Base-Backbone interact. energy: -0.114
local terms energy: -271.027285
where:
bonds (distance) C4'-P energy: -47.347
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -39.036
tors. eta vs tors. theta energy: -77.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -842.012050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.012050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.012050 (E_RNA)
where:
Base-Base interactions energy: -577.448
where: short stacking energy: -246.357
Base-Backbone interact. energy: -1.555
local terms energy: -263.009895
where:
bonds (distance) C4'-P energy: -57.297
bonds (distance) P-C4' energy: -46.732
flat angles C4'-P-C4' energy: -51.916
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -69.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -763.401608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.401608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.401608 (E_RNA)
where:
Base-Base interactions energy: -503.517
where: short stacking energy: -214.579
Base-Backbone interact. energy: -0.717
local terms energy: -259.167537
where:
bonds (distance) C4'-P energy: -43.427
bonds (distance) P-C4' energy: -53.950
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -65.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -751.751764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.751764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.751764 (E_RNA)
where:
Base-Base interactions energy: -531.784
where: short stacking energy: -222.692
Base-Backbone interact. energy: -0.596
local terms energy: -219.371576
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -47.148
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -66.513
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: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -704.129254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.129254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.129254 (E_RNA)
where:
Base-Base interactions energy: -463.169
where: short stacking energy: -199.707
Base-Backbone interact. energy: 2.185
local terms energy: -243.145378
where:
bonds (distance) C4'-P energy: -46.392
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -48.312
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -50.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -677.608417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.608417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.608417 (E_RNA)
where:
Base-Base interactions energy: -450.955
where: short stacking energy: -205.754
Base-Backbone interact. energy: 0.478
local terms energy: -227.131589
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -47.377
flat angles C4'-P-C4' energy: -54.853
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -58.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -527.910821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.910821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.910821 (E_RNA)
where:
Base-Base interactions energy: -342.617
where: short stacking energy: -156.548
Base-Backbone interact. energy: -0.937
local terms energy: -184.356848
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -45.728
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -22.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -350.298100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.298100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.298100 (E_RNA)
where:
Base-Base interactions energy: -183.752
where: short stacking energy: -97.171
Base-Backbone interact. energy: 1.578
local terms energy: -168.124302
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -46.139
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -905.229873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.229873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.229873 (E_RNA)
where:
Base-Base interactions energy: -615.158
where: short stacking energy: -260.129
Base-Backbone interact. energy: -1.281
local terms energy: -288.790886
where:
bonds (distance) C4'-P energy: -51.313
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -78.069
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: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -891.924059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.924059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.924059 (E_RNA)
where:
Base-Base interactions energy: -609.518
where: short stacking energy: -278.450
Base-Backbone interact. energy: -1.011
local terms energy: -281.395447
where:
bonds (distance) C4'-P energy: -48.666
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -61.085
flat angles P-C4'-P energy: -41.348
tors. eta vs tors. theta energy: -79.919
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: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -864.121278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.121278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.121278 (E_RNA)
where:
Base-Base interactions energy: -590.540
where: short stacking energy: -242.531
Base-Backbone interact. energy: -0.124
local terms energy: -273.458028
where:
bonds (distance) C4'-P energy: -54.830
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -55.659
flat angles P-C4'-P energy: -33.351
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -814.413898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.413898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.413898 (E_RNA)
where:
Base-Base interactions energy: -561.407
where: short stacking energy: -241.603
Base-Backbone interact. energy: 3.152
local terms energy: -256.158676
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -56.759
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -63.606
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: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -764.697607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.697607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.697607 (E_RNA)
where:
Base-Base interactions energy: -524.587
where: short stacking energy: -217.012
Base-Backbone interact. energy: -0.778
local terms energy: -239.332458
where:
bonds (distance) C4'-P energy: -40.660
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -38.332
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: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -738.069319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.069319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.069319 (E_RNA)
where:
Base-Base interactions energy: -497.433
where: short stacking energy: -201.458
Base-Backbone interact. energy: -0.986
local terms energy: -239.651037
where:
bonds (distance) C4'-P energy: -45.061
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: -58.881
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: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -749.983337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.983337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.983337 (E_RNA)
where:
Base-Base interactions energy: -512.252
where: short stacking energy: -215.760
Base-Backbone interact. energy: -0.452
local terms energy: -237.280018
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -59.096
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -65.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -687.404387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.404387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.404387 (E_RNA)
where:
Base-Base interactions energy: -463.430
where: short stacking energy: -206.238
Base-Backbone interact. energy: -0.542
local terms energy: -223.431870
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -45.120
flat angles C4'-P-C4' energy: -50.050
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -49.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -466.972200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.972200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.972200 (E_RNA)
where:
Base-Base interactions energy: -284.399
where: short stacking energy: -139.936
Base-Backbone interact. energy: -0.679
local terms energy: -181.894083
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -51.840
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -29.436
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: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -290.598992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.598992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.598992 (E_RNA)
where:
Base-Base interactions energy: -131.806
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.684
local terms energy: -158.109450
where:
bonds (distance) C4'-P energy: -45.444
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -2.451
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: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -895.050689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.050689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.050689 (E_RNA)
where:
Base-Base interactions energy: -614.152
where: short stacking energy: -259.201
Base-Backbone interact. energy: -1.911
local terms energy: -278.987095
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -50.225
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -82.051
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -883.657858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.657858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.657858 (E_RNA)
where:
Base-Base interactions energy: -607.570
where: short stacking energy: -250.551
Base-Backbone interact. energy: -1.028
local terms energy: -275.060517
where:
bonds (distance) C4'-P energy: -42.484
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -75.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -862.003423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.003423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.003423 (E_RNA)
where:
Base-Base interactions energy: -596.327
where: short stacking energy: -248.806
Base-Backbone interact. energy: -0.906
local terms energy: -264.770692
where:
bonds (distance) C4'-P energy: -51.302
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -52.861
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -65.887
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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -821.101764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.101764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.101764 (E_RNA)
where:
Base-Base interactions energy: -570.556
where: short stacking energy: -242.026
Base-Backbone interact. energy: -1.188
local terms energy: -249.357863
where:
bonds (distance) C4'-P energy: -54.368
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -49.715
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -64.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -772.899774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.899774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.899774 (E_RNA)
where:
Base-Base interactions energy: -527.112
where: short stacking energy: -223.094
Base-Backbone interact. energy: -1.326
local terms energy: -244.461931
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -62.956
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: 32
Temperature: 1.150000
Total energy: -748.092352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.092352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.092352 (E_RNA)
where:
Base-Base interactions energy: -524.122
where: short stacking energy: -211.769
Base-Backbone interact. energy: -1.360
local terms energy: -222.609739
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -49.314
flat angles C4'-P-C4' energy: -55.070
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -755.502305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.502305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.502305 (E_RNA)
where:
Base-Base interactions energy: -508.080
where: short stacking energy: -221.834
Base-Backbone interact. energy: -0.341
local terms energy: -247.081698
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -70.179
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: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -679.219412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.219412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.219412 (E_RNA)
where:
Base-Base interactions energy: -451.880
where: short stacking energy: -189.205
Base-Backbone interact. energy: 1.413
local terms energy: -228.752545
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -51.212
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -44.986
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: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -457.871855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.871855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.871855 (E_RNA)
where:
Base-Base interactions energy: -308.582
where: short stacking energy: -130.297
Base-Backbone interact. energy: -0.946
local terms energy: -148.344072
where:
bonds (distance) C4'-P energy: -38.959
bonds (distance) P-C4' energy: -50.217
flat angles C4'-P-C4' energy: -25.156
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -327.529997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.529997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.529997 (E_RNA)
where:
Base-Base interactions energy: -167.068
where: short stacking energy: -80.454
Base-Backbone interact. energy: -0.549
local terms energy: -159.912978
where:
bonds (distance) C4'-P energy: -41.870
bonds (distance) P-C4' energy: -43.617
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -12.552
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: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -909.703157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.703157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.703157 (E_RNA)
where:
Base-Base interactions energy: -616.087
where: short stacking energy: -271.780
Base-Backbone interact. energy: -2.565
local terms energy: -291.051181
where:
bonds (distance) C4'-P energy: -51.232
bonds (distance) P-C4' energy: -57.337
flat angles C4'-P-C4' energy: -59.391
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -79.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -874.890662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.890662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.890662 (E_RNA)
where:
Base-Base interactions energy: -590.058
where: short stacking energy: -257.940
Base-Backbone interact. energy: -1.364
local terms energy: -283.468733
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -56.224
flat angles C4'-P-C4' energy: -52.543
flat angles P-C4'-P energy: -43.795
tors. eta vs tors. theta energy: -76.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -854.516283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.516283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.516283 (E_RNA)
where:
Base-Base interactions energy: -585.566
where: short stacking energy: -252.421
Base-Backbone interact. energy: -1.125
local terms energy: -267.825068
where:
bonds (distance) C4'-P energy: -41.580
bonds (distance) P-C4' energy: -52.486
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -37.721
tors. eta vs tors. theta energy: -73.827
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: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -823.950742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.950742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.950742 (E_RNA)
where:
Base-Base interactions energy: -572.139
where: short stacking energy: -247.839
Base-Backbone interact. energy: -0.840
local terms energy: -250.971887
where:
bonds (distance) C4'-P energy: -48.493
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -56.114
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -74.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -772.799129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.799129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.799129 (E_RNA)
where:
Base-Base interactions energy: -511.788
where: short stacking energy: -223.452
Base-Backbone interact. energy: -0.306
local terms energy: -260.705903
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -58.279
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -66.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -763.261289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.261289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.261289 (E_RNA)
where:
Base-Base interactions energy: -525.845
where: short stacking energy: -217.217
Base-Backbone interact. energy: -1.067
local terms energy: -236.349168
where:
bonds (distance) C4'-P energy: -47.532
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -45.466
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -60.886
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: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -721.793870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.793870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.793870 (E_RNA)
where:
Base-Base interactions energy: -491.700
where: short stacking energy: -199.733
Base-Backbone interact. energy: -1.378
local terms energy: -228.716660
where:
bonds (distance) C4'-P energy: -52.221
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -48.257
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -42.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -676.579914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.579914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.579914 (E_RNA)
where:
Base-Base interactions energy: -461.811
where: short stacking energy: -205.305
Base-Backbone interact. energy: -0.435
local terms energy: -214.334229
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -40.281
flat angles C4'-P-C4' energy: -48.727
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -53.327
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: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -495.908293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.908293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.908293 (E_RNA)
where:
Base-Base interactions energy: -312.596
where: short stacking energy: -146.538
Base-Backbone interact. energy: 0.337
local terms energy: -183.648932
where:
bonds (distance) C4'-P energy: -41.886
bonds (distance) P-C4' energy: -46.323
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -29.325
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -326.134400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.134400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.134400 (E_RNA)
where:
Base-Base interactions energy: -164.632
where: short stacking energy: -82.189
Base-Backbone interact. energy: -1.147
local terms energy: -160.355273
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -5.011
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: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -891.611899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.611899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.611899 (E_RNA)
where:
Base-Base interactions energy: -606.769
where: short stacking energy: -270.409
Base-Backbone interact. energy: 0.536
local terms energy: -285.378212
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -55.027
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -44.829
tors. eta vs tors. theta energy: -75.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -874.423552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.423552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.423552 (E_RNA)
where:
Base-Base interactions energy: -611.608
where: short stacking energy: -244.993
Base-Backbone interact. energy: -1.336
local terms energy: -261.480041
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -57.015
flat angles P-C4'-P energy: -38.931
tors. eta vs tors. theta energy: -65.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -836.430101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.430101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.430101 (E_RNA)
where:
Base-Base interactions energy: -562.794
where: short stacking energy: -243.305
Base-Backbone interact. energy: 2.431
local terms energy: -276.066983
where:
bonds (distance) C4'-P energy: -52.640
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -51.198
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -72.135
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: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -850.490614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.490614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.490614 (E_RNA)
where:
Base-Base interactions energy: -581.766
where: short stacking energy: -246.040
Base-Backbone interact. energy: -0.147
local terms energy: -268.577752
where:
bonds (distance) C4'-P energy: -49.611
bonds (distance) P-C4' energy: -54.181
flat angles C4'-P-C4' energy: -57.067
flat angles P-C4'-P energy: -34.229
tors. eta vs tors. theta energy: -73.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -805.868299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.868299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.868299 (E_RNA)
where:
Base-Base interactions energy: -552.153
where: short stacking energy: -223.232
Base-Backbone interact. energy: -0.757
local terms energy: -252.958553
where:
bonds (distance) C4'-P energy: -50.282
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -51.901
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -61.640
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: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -783.361812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.361812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.361812 (E_RNA)
where:
Base-Base interactions energy: -532.568
where: short stacking energy: -230.443
Base-Backbone interact. energy: -0.509
local terms energy: -250.284722
where:
bonds (distance) C4'-P energy: -48.585
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -54.184
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -64.949
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: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -723.332936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.332936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.332936 (E_RNA)
where:
Base-Base interactions energy: -499.801
where: short stacking energy: -194.186
Base-Backbone interact. energy: -1.191
local terms energy: -222.341425
where:
bonds (distance) C4'-P energy: -45.683
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -46.305
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: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -680.131434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.131434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.131434 (E_RNA)
where:
Base-Base interactions energy: -466.408
where: short stacking energy: -211.259
Base-Backbone interact. energy: -0.550
local terms energy: -213.173339
where:
bonds (distance) C4'-P energy: -37.155
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -51.642
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -56.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -559.069546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.069546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.069546 (E_RNA)
where:
Base-Base interactions energy: -349.952
where: short stacking energy: -163.995
Base-Backbone interact. energy: -1.304
local terms energy: -207.813725
where:
bonds (distance) C4'-P energy: -43.829
bonds (distance) P-C4' energy: -48.731
flat angles C4'-P-C4' energy: -53.313
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -35.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -306.542255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.542255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.542255 (E_RNA)
where:
Base-Base interactions energy: -139.303
where: short stacking energy: -71.205
Base-Backbone interact. energy: 2.653
local terms energy: -169.892273
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -41.956
flat angles P-C4'-P energy: -34.816
tors. eta vs tors. theta energy: 1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -926.689605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.689605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.689605 (E_RNA)
where:
Base-Base interactions energy: -621.745
where: short stacking energy: -270.830
Base-Backbone interact. energy: -0.970
local terms energy: -303.974960
where:
bonds (distance) C4'-P energy: -58.946
bonds (distance) P-C4' energy: -56.036
flat angles C4'-P-C4' energy: -64.967
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -81.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -867.789149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.789149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.789149 (E_RNA)
where:
Base-Base interactions energy: -609.356
where: short stacking energy: -257.663
Base-Backbone interact. energy: 1.258
local terms energy: -259.691653
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -48.601
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -69.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -853.290167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.290167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.290167 (E_RNA)
where:
Base-Base interactions energy: -598.063
where: short stacking energy: -256.456
Base-Backbone interact. energy: -0.337
local terms energy: -254.889826
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -46.095
flat angles C4'-P-C4' energy: -57.320
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -63.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -830.521314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.521314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.521314 (E_RNA)
where:
Base-Base interactions energy: -581.680
where: short stacking energy: -240.670
Base-Backbone interact. energy: -0.711
local terms energy: -248.130534
where:
bonds (distance) C4'-P energy: -53.141
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -34.732
tors. eta vs tors. theta energy: -67.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -822.846935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.846935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.846935 (E_RNA)
where:
Base-Base interactions energy: -561.111
where: short stacking energy: -235.584
Base-Backbone interact. energy: -0.814
local terms energy: -260.922045
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -51.530
flat angles C4'-P-C4' energy: -60.578
flat angles P-C4'-P energy: -33.721
tors. eta vs tors. theta energy: -69.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -775.469660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.469660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.469660 (E_RNA)
where:
Base-Base interactions energy: -510.033
where: short stacking energy: -220.050
Base-Backbone interact. energy: -0.283
local terms energy: -265.153291
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: -62.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -731.590785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.590785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.590785 (E_RNA)
where:
Base-Base interactions energy: -492.580
where: short stacking energy: -207.750
Base-Backbone interact. energy: -1.157
local terms energy: -237.853382
where:
bonds (distance) C4'-P energy: -47.293
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -38.156
tors. eta vs tors. theta energy: -54.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -633.314606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.314606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.314606 (E_RNA)
where:
Base-Base interactions energy: -423.300
where: short stacking energy: -177.221
Base-Backbone interact. energy: -0.553
local terms energy: -209.461388
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -47.782
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -28.570
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: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -490.074281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.074281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.074281 (E_RNA)
where:
Base-Base interactions energy: -308.793
where: short stacking energy: -133.692
Base-Backbone interact. energy: 1.102
local terms energy: -182.382833
where:
bonds (distance) C4'-P energy: -39.685
bonds (distance) P-C4' energy: -46.534
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -22.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -272.831269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.831269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.831269 (E_RNA)
where:
Base-Base interactions energy: -146.965
where: short stacking energy: -80.876
Base-Backbone interact. energy: 4.113
local terms energy: -129.979306
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -41.387
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: 7.358
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: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -917.082245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.082245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.082245 (E_RNA)
where:
Base-Base interactions energy: -620.926
where: short stacking energy: -272.127
Base-Backbone interact. energy: -0.516
local terms energy: -295.640239
where:
bonds (distance) C4'-P energy: -54.716
bonds (distance) P-C4' energy: -51.107
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -81.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -899.534787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.534787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.534787 (E_RNA)
where:
Base-Base interactions energy: -606.362
where: short stacking energy: -269.023
Base-Backbone interact. energy: -1.047
local terms energy: -292.125835
where:
bonds (distance) C4'-P energy: -60.245
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -66.297
flat angles P-C4'-P energy: -43.683
tors. eta vs tors. theta energy: -74.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -868.893031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.893031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.893031 (E_RNA)
where:
Base-Base interactions energy: -586.270
where: short stacking energy: -248.139
Base-Backbone interact. energy: -1.264
local terms energy: -281.359064
where:
bonds (distance) C4'-P energy: -52.115
bonds (distance) P-C4' energy: -57.990
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -65.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -829.291690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.291690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.291690 (E_RNA)
where:
Base-Base interactions energy: -551.031
where: short stacking energy: -240.688
Base-Backbone interact. energy: -0.739
local terms energy: -277.521567
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -53.153
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -40.076
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -801.699961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.699961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.699961 (E_RNA)
where:
Base-Base interactions energy: -552.583
where: short stacking energy: -243.507
Base-Backbone interact. energy: -0.051
local terms energy: -249.065820
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -50.436
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -66.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -750.176698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.176698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.176698 (E_RNA)
where:
Base-Base interactions energy: -511.511
where: short stacking energy: -225.836
Base-Backbone interact. energy: -0.214
local terms energy: -238.452496
where:
bonds (distance) C4'-P energy: -43.371
bonds (distance) P-C4' energy: -46.583
flat angles C4'-P-C4' energy: -49.410
flat angles P-C4'-P energy: -36.597
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: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -714.576673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.576673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.576673 (E_RNA)
where:
Base-Base interactions energy: -487.473
where: short stacking energy: -199.911
Base-Backbone interact. energy: 0.875
local terms energy: -227.978973
where:
bonds (distance) C4'-P energy: -48.544
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: -51.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -619.398374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.398374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.398374 (E_RNA)
where:
Base-Base interactions energy: -397.505
where: short stacking energy: -163.843
Base-Backbone interact. energy: -0.471
local terms energy: -221.422550
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -42.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -464.969477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.969477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.969477 (E_RNA)
where:
Base-Base interactions energy: -292.806
where: short stacking energy: -125.618
Base-Backbone interact. energy: -0.700
local terms energy: -171.463000
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -39.675
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -30.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -267.340885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.340885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.340885 (E_RNA)
where:
Base-Base interactions energy: -104.073
where: short stacking energy: -61.011
Base-Backbone interact. energy: 0.258
local terms energy: -163.525882
where:
bonds (distance) C4'-P energy: -46.173
bonds (distance) P-C4' energy: -56.094
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -30.709
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: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -916.426364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.426364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.426364 (E_RNA)
where:
Base-Base interactions energy: -622.190
where: short stacking energy: -272.562
Base-Backbone interact. energy: 1.840
local terms energy: -296.075478
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -52.551
flat angles C4'-P-C4' energy: -60.080
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -81.008
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: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -899.748344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.748344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.748344 (E_RNA)
where:
Base-Base interactions energy: -618.828
where: short stacking energy: -263.692
Base-Backbone interact. energy: 1.861
local terms energy: -282.781912
where:
bonds (distance) C4'-P energy: -50.896
bonds (distance) P-C4' energy: -56.392
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -72.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -868.073177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.073177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.073177 (E_RNA)
where:
Base-Base interactions energy: -592.507
where: short stacking energy: -245.769
Base-Backbone interact. energy: -0.879
local terms energy: -274.687203
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -40.249
tors. eta vs tors. theta energy: -71.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -827.170040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.170040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.170040 (E_RNA)
where:
Base-Base interactions energy: -566.097
where: short stacking energy: -238.612
Base-Backbone interact. energy: -0.750
local terms energy: -260.323159
where:
bonds (distance) C4'-P energy: -57.226
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -52.337
flat angles P-C4'-P energy: -35.137
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -837.465188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.465188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.465188 (E_RNA)
where:
Base-Base interactions energy: -576.598
where: short stacking energy: -257.886
Base-Backbone interact. energy: -0.505
local terms energy: -260.362305
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -50.086
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -69.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -729.873981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.873981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.873981 (E_RNA)
where:
Base-Base interactions energy: -493.214
where: short stacking energy: -206.008
Base-Backbone interact. energy: 0.964
local terms energy: -237.624197
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -49.272
flat angles C4'-P-C4' energy: -53.560
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -57.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -710.336267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.336267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.336267 (E_RNA)
where:
Base-Base interactions energy: -470.765
where: short stacking energy: -181.349
Base-Backbone interact. energy: -0.302
local terms energy: -239.269080
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -41.293
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -674.316771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.316771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.316771 (E_RNA)
where:
Base-Base interactions energy: -460.189
where: short stacking energy: -206.185
Base-Backbone interact. energy: 0.753
local terms energy: -214.879997
where:
bonds (distance) C4'-P energy: -40.143
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -53.270
flat angles P-C4'-P energy: -31.763
tors. eta vs tors. theta energy: -53.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -446.465507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.465507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.465507 (E_RNA)
where:
Base-Base interactions energy: -275.046
where: short stacking energy: -126.706
Base-Backbone interact. energy: 1.538
local terms energy: -172.957990
where:
bonds (distance) C4'-P energy: -41.485
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -32.036
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -228.126836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.126836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.126836 (E_RNA)
where:
Base-Base interactions energy: -73.073
where: short stacking energy: -64.089
Base-Backbone interact. energy: 0.488
local terms energy: -155.541954
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -50.927
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: 1.293
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: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -904.344670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.344670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.344670 (E_RNA)
where:
Base-Base interactions energy: -614.113
where: short stacking energy: -271.360
Base-Backbone interact. energy: -0.672
local terms energy: -289.559697
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -59.592
flat angles P-C4'-P energy: -36.953
tors. eta vs tors. theta energy: -73.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -872.040652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.040652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.040652 (E_RNA)
where:
Base-Base interactions energy: -603.285
where: short stacking energy: -268.461
Base-Backbone interact. energy: -0.535
local terms energy: -268.220540
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -54.409
flat angles C4'-P-C4' energy: -59.188
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -66.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -891.872033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.872033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.872033 (E_RNA)
where:
Base-Base interactions energy: -616.578
where: short stacking energy: -270.507
Base-Backbone interact. energy: -1.035
local terms energy: -274.259617
where:
bonds (distance) C4'-P energy: -46.572
bonds (distance) P-C4' energy: -57.753
flat angles C4'-P-C4' energy: -55.736
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -74.599
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: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -812.265804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.265804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.265804 (E_RNA)
where:
Base-Base interactions energy: -560.412
where: short stacking energy: -238.962
Base-Backbone interact. energy: -0.985
local terms energy: -250.868671
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -47.036
flat angles P-C4'-P energy: -33.639
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -813.552237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.552237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.552237 (E_RNA)
where:
Base-Base interactions energy: -564.705
where: short stacking energy: -235.816
Base-Backbone interact. energy: -1.034
local terms energy: -247.813012
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -64.345
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -67.688
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -761.926967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.926967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.926967 (E_RNA)
where:
Base-Base interactions energy: -507.711
where: short stacking energy: -220.008
Base-Backbone interact. energy: 2.524
local terms energy: -256.739530
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -57.501
flat angles C4'-P-C4' energy: -58.480
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -55.664
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: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -713.623991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.623991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.623991 (E_RNA)
where:
Base-Base interactions energy: -474.291
where: short stacking energy: -200.446
Base-Backbone interact. energy: 1.100
local terms energy: -240.432823
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -49.056
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -33.684
tors. eta vs tors. theta energy: -49.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -672.478467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.478467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.478467 (E_RNA)
where:
Base-Base interactions energy: -454.639
where: short stacking energy: -202.640
Base-Backbone interact. energy: -0.670
local terms energy: -217.168949
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -47.898
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -28.844
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -451.883519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.883519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.883519 (E_RNA)
where:
Base-Base interactions energy: -271.022
where: short stacking energy: -116.316
Base-Backbone interact. energy: -0.372
local terms energy: -180.489252
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -49.840
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -17.725
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: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -255.214591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.214591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.214591 (E_RNA)
where:
Base-Base interactions energy: -93.480
where: short stacking energy: -77.657
Base-Backbone interact. energy: 0.363
local terms energy: -162.097718
where:
bonds (distance) C4'-P energy: -46.363
bonds (distance) P-C4' energy: -45.676
flat angles C4'-P-C4' energy: -40.345
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -921.706689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.706689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.706689 (E_RNA)
where:
Base-Base interactions energy: -635.219
where: short stacking energy: -275.715
Base-Backbone interact. energy: 1.684
local terms energy: -288.171665
where:
bonds (distance) C4'-P energy: -54.194
bonds (distance) P-C4' energy: -55.045
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -75.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -887.416057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.416057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.416057 (E_RNA)
where:
Base-Base interactions energy: -602.625
where: short stacking energy: -254.766
Base-Backbone interact. energy: -1.867
local terms energy: -282.923411
where:
bonds (distance) C4'-P energy: -55.119
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -58.585
flat angles P-C4'-P energy: -45.363
tors. eta vs tors. theta energy: -72.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -845.309406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.309406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.309406 (E_RNA)
where:
Base-Base interactions energy: -576.716
where: short stacking energy: -230.859
Base-Backbone interact. energy: -1.237
local terms energy: -267.356848
where:
bonds (distance) C4'-P energy: -51.981
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -848.388997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.388997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.388997 (E_RNA)
where:
Base-Base interactions energy: -576.501
where: short stacking energy: -246.735
Base-Backbone interact. energy: -1.162
local terms energy: -270.725865
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -47.776
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -41.407
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: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -792.252784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.252784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.252784 (E_RNA)
where:
Base-Base interactions energy: -533.470
where: short stacking energy: -215.725
Base-Backbone interact. energy: -0.348
local terms energy: -258.434485
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -57.907
flat angles C4'-P-C4' energy: -55.163
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -60.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -763.089572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.089572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.089572 (E_RNA)
where:
Base-Base interactions energy: -503.669
where: short stacking energy: -208.770
Base-Backbone interact. energy: -0.401
local terms energy: -259.020021
where:
bonds (distance) C4'-P energy: -44.437
bonds (distance) P-C4' energy: -58.233
flat angles C4'-P-C4' energy: -57.910
flat angles P-C4'-P energy: -39.324
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: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -678.001006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.001006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.001006 (E_RNA)
where:
Base-Base interactions energy: -454.078
where: short stacking energy: -169.461
Base-Backbone interact. energy: -1.387
local terms energy: -222.536151
where:
bonds (distance) C4'-P energy: -47.804
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -44.449
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -48.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -687.514224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.514224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.514224 (E_RNA)
where:
Base-Base interactions energy: -463.566
where: short stacking energy: -212.373
Base-Backbone interact. energy: -0.587
local terms energy: -223.361627
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -46.747
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -65.473
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: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -493.424289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.424289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.424289 (E_RNA)
where:
Base-Base interactions energy: -308.853
where: short stacking energy: -132.536
Base-Backbone interact. energy: -1.975
local terms energy: -182.596153
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -32.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -225.588269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.588269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.588269 (E_RNA)
where:
Base-Base interactions energy: -92.038
where: short stacking energy: -72.656
Base-Backbone interact. energy: 1.636
local terms energy: -135.186402
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -41.088
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: 8.210
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: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -902.627395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.627395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.627395 (E_RNA)
where:
Base-Base interactions energy: -625.922
where: short stacking energy: -268.295
Base-Backbone interact. energy: 0.982
local terms energy: -277.686977
where:
bonds (distance) C4'-P energy: -48.351
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -69.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -863.969085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.969085 (E_RNA)
where:
Base-Base interactions energy: -605.744
where: short stacking energy: -248.129
Base-Backbone interact. energy: -0.723
local terms energy: -257.502395
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -56.062
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -65.801
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -856.412338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.412338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.412338 (E_RNA)
where:
Base-Base interactions energy: -587.237
where: short stacking energy: -253.402
Base-Backbone interact. energy: -2.464
local terms energy: -266.711854
where:
bonds (distance) C4'-P energy: -45.400
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -62.736
flat angles P-C4'-P energy: -37.619
tors. eta vs tors. theta energy: -70.071
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: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -855.168201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.168201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.168201 (E_RNA)
where:
Base-Base interactions energy: -585.252
where: short stacking energy: -261.170
Base-Backbone interact. energy: -2.285
local terms energy: -267.630860
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -52.746
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -33.241
tors. eta vs tors. theta energy: -75.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -813.679073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.679073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.679073 (E_RNA)
where:
Base-Base interactions energy: -538.213
where: short stacking energy: -217.898
Base-Backbone interact. energy: -2.018
local terms energy: -273.448175
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -58.998
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -66.436
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: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -757.899403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.899403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.899403 (E_RNA)
where:
Base-Base interactions energy: -513.811
where: short stacking energy: -210.936
Base-Backbone interact. energy: -0.685
local terms energy: -243.402983
where:
bonds (distance) C4'-P energy: -48.590
bonds (distance) P-C4' energy: -46.684
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -58.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -690.137051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.137051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.137051 (E_RNA)
where:
Base-Base interactions energy: -463.018
where: short stacking energy: -200.997
Base-Backbone interact. energy: -1.260
local terms energy: -225.859105
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -53.190
flat angles C4'-P-C4' energy: -41.779
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -48.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -677.797257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.797257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.797257 (E_RNA)
where:
Base-Base interactions energy: -458.120
where: short stacking energy: -188.379
Base-Backbone interact. energy: -0.662
local terms energy: -219.014601
where:
bonds (distance) C4'-P energy: -43.660
bonds (distance) P-C4' energy: -38.683
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: -45.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -461.440733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.440733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.440733 (E_RNA)
where:
Base-Base interactions energy: -273.197
where: short stacking energy: -120.083
Base-Backbone interact. energy: -0.565
local terms energy: -187.678375
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -45.811
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -231.983524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.983524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.983524 (E_RNA)
where:
Base-Base interactions energy: -89.395
where: short stacking energy: -66.958
Base-Backbone interact. energy: 7.769
local terms energy: -150.357591
where:
bonds (distance) C4'-P energy: -46.059
bonds (distance) P-C4' energy: -51.093
flat angles C4'-P-C4' energy: -33.528
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: 4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -903.633709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.633709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.633709 (E_RNA)
where:
Base-Base interactions energy: -611.822
where: short stacking energy: -266.304
Base-Backbone interact. energy: -0.924
local terms energy: -290.886835
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -59.232
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -75.043
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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -866.039396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.039396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.039396 (E_RNA)
where:
Base-Base interactions energy: -588.089
where: short stacking energy: -259.695
Base-Backbone interact. energy: -0.668
local terms energy: -277.282384
where:
bonds (distance) C4'-P energy: -52.467
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: -75.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -860.603459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.603459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.603459 (E_RNA)
where:
Base-Base interactions energy: -575.299
where: short stacking energy: -247.009
Base-Backbone interact. energy: -1.493
local terms energy: -283.812317
where:
bonds (distance) C4'-P energy: -57.504
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -75.581
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: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -831.272326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.272326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.272326 (E_RNA)
where:
Base-Base interactions energy: -584.552
where: short stacking energy: -227.161
Base-Backbone interact. energy: -0.585
local terms energy: -246.135164
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -54.561
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -60.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -811.410837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.410837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.410837 (E_RNA)
where:
Base-Base interactions energy: -554.876
where: short stacking energy: -227.553
Base-Backbone interact. energy: -0.029
local terms energy: -256.505608
where:
bonds (distance) C4'-P energy: -43.718
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -45.008
tors. eta vs tors. theta energy: -57.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -738.493425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.493425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.493425 (E_RNA)
where:
Base-Base interactions energy: -505.222
where: short stacking energy: -202.594
Base-Backbone interact. energy: -1.964
local terms energy: -231.307136
where:
bonds (distance) C4'-P energy: -44.982
bonds (distance) P-C4' energy: -51.832
flat angles C4'-P-C4' energy: -48.816
flat angles P-C4'-P energy: -30.657
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: 41
Temperature: 1.200000
Total energy: -678.908665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.908665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.908665 (E_RNA)
where:
Base-Base interactions energy: -444.703
where: short stacking energy: -182.418
Base-Backbone interact. energy: -1.818
local terms energy: -232.387437
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -27.135
tors. eta vs tors. theta energy: -43.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -743.083376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.083376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.083376 (E_RNA)
where:
Base-Base interactions energy: -489.397
where: short stacking energy: -209.454
Base-Backbone interact. energy: -0.200
local terms energy: -253.486286
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -53.843
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -64.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -443.199028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.199028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.199028 (E_RNA)
where:
Base-Base interactions energy: -274.884
where: short stacking energy: -124.688
Base-Backbone interact. energy: -0.352
local terms energy: -167.963625
where:
bonds (distance) C4'-P energy: -39.769
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -238.723286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.723286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.723286 (E_RNA)
where:
Base-Base interactions energy: -93.234
where: short stacking energy: -68.352
Base-Backbone interact. energy: 0.141
local terms energy: -145.630015
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -1.016
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: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -905.080413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.080413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.080413 (E_RNA)
where:
Base-Base interactions energy: -626.095
where: short stacking energy: -267.952
Base-Backbone interact. energy: -0.689
local terms energy: -278.296638
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -51.259
flat angles C4'-P-C4' energy: -65.445
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -71.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -874.923081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.923081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.923081 (E_RNA)
where:
Base-Base interactions energy: -592.078
where: short stacking energy: -241.507
Base-Backbone interact. energy: -0.670
local terms energy: -282.175295
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -52.912
flat angles C4'-P-C4' energy: -65.362
flat angles P-C4'-P energy: -43.252
tors. eta vs tors. theta energy: -68.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -857.239164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.239164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.239164 (E_RNA)
where:
Base-Base interactions energy: -579.151
where: short stacking energy: -243.188
Base-Backbone interact. energy: -1.289
local terms energy: -276.798910
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -55.471
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -42.482
tors. eta vs tors. theta energy: -69.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -818.013875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.013875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.013875 (E_RNA)
where:
Base-Base interactions energy: -553.175
where: short stacking energy: -244.779
Base-Backbone interact. energy: -0.629
local terms energy: -264.209105
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -58.692
flat angles C4'-P-C4' energy: -48.757
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -70.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -817.939723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.939723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.939723 (E_RNA)
where:
Base-Base interactions energy: -557.905
where: short stacking energy: -236.105
Base-Backbone interact. energy: -1.096
local terms energy: -258.938353
where:
bonds (distance) C4'-P energy: -45.952
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -62.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -740.302178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.302178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.302178 (E_RNA)
where:
Base-Base interactions energy: -493.101
where: short stacking energy: -218.036
Base-Backbone interact. energy: -0.790
local terms energy: -246.411139
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -54.950
flat angles P-C4'-P energy: -31.203
tors. eta vs tors. theta energy: -62.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -728.556898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.556898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.556898 (E_RNA)
where:
Base-Base interactions energy: -501.139
where: short stacking energy: -218.722
Base-Backbone interact. energy: -0.319
local terms energy: -227.099470
where:
bonds (distance) C4'-P energy: -45.077
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -36.903
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: -58.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -671.023108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.023108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.023108 (E_RNA)
where:
Base-Base interactions energy: -451.764
where: short stacking energy: -191.104
Base-Backbone interact. energy: -0.666
local terms energy: -218.592893
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -47.552
flat angles C4'-P-C4' energy: -48.101
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -52.642
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: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -433.790837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.790837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.790837 (E_RNA)
where:
Base-Base interactions energy: -266.124
where: short stacking energy: -125.969
Base-Backbone interact. energy: 0.649
local terms energy: -168.315870
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -39.188
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -20.581
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: 42
Temperature: 1.350000
Total energy: -239.777395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.777395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.777395 (E_RNA)
where:
Base-Base interactions energy: -110.559
where: short stacking energy: -66.421
Base-Backbone interact. energy: 1.201
local terms energy: -130.419471
where:
bonds (distance) C4'-P energy: -51.761
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -30.972
tors. eta vs tors. theta energy: 12.844
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: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -908.893618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.893618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.893618 (E_RNA)
where:
Base-Base interactions energy: -627.637
where: short stacking energy: -272.342
Base-Backbone interact. energy: 1.268
local terms energy: -282.523996
where:
bonds (distance) C4'-P energy: -49.290
bonds (distance) P-C4' energy: -50.025
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -41.463
tors. eta vs tors. theta energy: -79.736
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: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -892.871594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.871594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.871594 (E_RNA)
where:
Base-Base interactions energy: -611.136
where: short stacking energy: -263.223
Base-Backbone interact. energy: -0.857
local terms energy: -280.878626
where:
bonds (distance) C4'-P energy: -61.835
bonds (distance) P-C4' energy: -60.908
flat angles C4'-P-C4' energy: -51.515
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -72.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -851.110430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.110430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.110430 (E_RNA)
where:
Base-Base interactions energy: -590.624
where: short stacking energy: -249.220
Base-Backbone interact. energy: -0.177
local terms energy: -260.308871
where:
bonds (distance) C4'-P energy: -51.365
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -55.019
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -80.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -834.507182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.507182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.507182 (E_RNA)
where:
Base-Base interactions energy: -576.679
where: short stacking energy: -237.986
Base-Backbone interact. energy: 0.194
local terms energy: -258.022138
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -47.257
flat angles C4'-P-C4' energy: -54.215
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -72.267
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: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -808.140007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.140007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.140007 (E_RNA)
where:
Base-Base interactions energy: -553.311
where: short stacking energy: -241.229
Base-Backbone interact. energy: -0.594
local terms energy: -254.235270
where:
bonds (distance) C4'-P energy: -49.663
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -67.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -752.518381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.518381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.518381 (E_RNA)
where:
Base-Base interactions energy: -520.866
where: short stacking energy: -217.221
Base-Backbone interact. energy: -0.442
local terms energy: -231.210162
where:
bonds (distance) C4'-P energy: -49.257
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -47.803
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -54.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -689.271503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.271503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.271503 (E_RNA)
where:
Base-Base interactions energy: -454.516
where: short stacking energy: -183.584
Base-Backbone interact. energy: -0.647
local terms energy: -234.108175
where:
bonds (distance) C4'-P energy: -47.496
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -51.860
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -54.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -699.650446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.650446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.650446 (E_RNA)
where:
Base-Base interactions energy: -464.379
where: short stacking energy: -211.963
Base-Backbone interact. energy: 1.203
local terms energy: -236.474955
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -40.623
flat angles C4'-P-C4' energy: -60.254
flat angles P-C4'-P energy: -39.518
tors. eta vs tors. theta energy: -58.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -441.682091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.682091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.682091 (E_RNA)
where:
Base-Base interactions energy: -255.629
where: short stacking energy: -121.696
Base-Backbone interact. energy: -0.341
local terms energy: -185.712802
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -42.782
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -229.922448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.922448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.922448 (E_RNA)
where:
Base-Base interactions energy: -90.301
where: short stacking energy: -68.322
Base-Backbone interact. energy: 0.557
local terms energy: -140.179127
where:
bonds (distance) C4'-P energy: -48.537
bonds (distance) P-C4' energy: -38.086
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -904.761047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.761047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.761047 (E_RNA)
where:
Base-Base interactions energy: -632.095
where: short stacking energy: -253.858
Base-Backbone interact. energy: -1.953
local terms energy: -270.713022
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -72.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -871.965994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.965994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.965994 (E_RNA)
where:
Base-Base interactions energy: -607.808
where: short stacking energy: -258.247
Base-Backbone interact. energy: 0.628
local terms energy: -264.785951
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -57.033
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -65.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -851.536962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.536962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.536962 (E_RNA)
where:
Base-Base interactions energy: -585.599
where: short stacking energy: -240.010
Base-Backbone interact. energy: -0.723
local terms energy: -265.214430
where:
bonds (distance) C4'-P energy: -43.841
bonds (distance) P-C4' energy: -54.656
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -66.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -802.926803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.926803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.926803 (E_RNA)
where:
Base-Base interactions energy: -553.434
where: short stacking energy: -231.913
Base-Backbone interact. energy: 0.035
local terms energy: -249.528592
where:
bonds (distance) C4'-P energy: -47.657
bonds (distance) P-C4' energy: -44.294
flat angles C4'-P-C4' energy: -54.639
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -61.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -813.232609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.232609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.232609 (E_RNA)
where:
Base-Base interactions energy: -567.190
where: short stacking energy: -230.499
Base-Backbone interact. energy: -0.522
local terms energy: -245.520633
where:
bonds (distance) C4'-P energy: -39.923
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -57.036
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -63.911
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -740.879883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.879883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.879883 (E_RNA)
where:
Base-Base interactions energy: -519.983
where: short stacking energy: -221.446
Base-Backbone interact. energy: 1.134
local terms energy: -222.031103
where:
bonds (distance) C4'-P energy: -38.731
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -49.524
flat angles P-C4'-P energy: -39.501
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: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -744.698863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.698863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.698863 (E_RNA)
where:
Base-Base interactions energy: -507.092
where: short stacking energy: -218.943
Base-Backbone interact. energy: 0.978
local terms energy: -238.585384
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -52.781
flat angles P-C4'-P energy: -37.016
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: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -676.775049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.775049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.775049 (E_RNA)
where:
Base-Base interactions energy: -445.695
where: short stacking energy: -185.420
Base-Backbone interact. energy: -0.415
local terms energy: -230.665793
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -54.974
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -51.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -463.031995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.031995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.031995 (E_RNA)
where:
Base-Base interactions energy: -278.855
where: short stacking energy: -136.412
Base-Backbone interact. energy: -0.464
local terms energy: -183.712761
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -44.182
flat angles C4'-P-C4' energy: -47.033
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -31.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -248.545463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.545463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.545463 (E_RNA)
where:
Base-Base interactions energy: -77.085
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.347
local terms energy: -171.114169
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -51.794
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: 4.052
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: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -928.119624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.119624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.119624 (E_RNA)
where:
Base-Base interactions energy: -636.326
where: short stacking energy: -271.636
Base-Backbone interact. energy: -0.632
local terms energy: -291.161005
where:
bonds (distance) C4'-P energy: -51.464
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: -81.210
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: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -876.886530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.886530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.886530 (E_RNA)
where:
Base-Base interactions energy: -599.272
where: short stacking energy: -239.305
Base-Backbone interact. energy: -1.351
local terms energy: -276.263758
where:
bonds (distance) C4'-P energy: -55.781
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -44.027
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: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -864.091710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.091710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.091710 (E_RNA)
where:
Base-Base interactions energy: -603.241
where: short stacking energy: -260.233
Base-Backbone interact. energy: -1.088
local terms energy: -259.762782
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -38.461
tors. eta vs tors. theta energy: -68.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -865.596404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.596404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.596404 (E_RNA)
where:
Base-Base interactions energy: -600.243
where: short stacking energy: -259.158
Base-Backbone interact. energy: 5.720
local terms energy: -271.072745
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -57.594
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -72.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -819.814560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.814560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.814560 (E_RNA)
where:
Base-Base interactions energy: -565.589
where: short stacking energy: -249.473
Base-Backbone interact. energy: -0.767
local terms energy: -253.458718
where:
bonds (distance) C4'-P energy: -46.171
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -54.008
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: -70.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -738.733458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.733458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.733458 (E_RNA)
where:
Base-Base interactions energy: -503.673
where: short stacking energy: -211.090
Base-Backbone interact. energy: -0.859
local terms energy: -234.201744
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -54.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -731.277890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.277890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.277890 (E_RNA)
where:
Base-Base interactions energy: -494.909
where: short stacking energy: -211.508
Base-Backbone interact. energy: -0.088
local terms energy: -236.280811
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -33.779
tors. eta vs tors. theta energy: -56.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -669.176413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.176413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.176413 (E_RNA)
where:
Base-Base interactions energy: -457.623
where: short stacking energy: -208.962
Base-Backbone interact. energy: -0.776
local terms energy: -210.776841
where:
bonds (distance) C4'-P energy: -47.126
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -47.935
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -55.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -469.100321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.100321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.100321 (E_RNA)
where:
Base-Base interactions energy: -279.011
where: short stacking energy: -134.511
Base-Backbone interact. energy: -0.534
local terms energy: -189.556023
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -211.846854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846854 (E_RNA)
where:
Base-Base interactions energy: -66.702
where: short stacking energy: -54.608
Base-Backbone interact. energy: -0.036
local terms energy: -145.109465
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -931.403058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.403058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.403058 (E_RNA)
where:
Base-Base interactions energy: -645.961
where: short stacking energy: -278.060
Base-Backbone interact. energy: 0.128
local terms energy: -285.569819
where:
bonds (distance) C4'-P energy: -55.936
bonds (distance) P-C4' energy: -51.225
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -77.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -887.949595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.949595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.949595 (E_RNA)
where:
Base-Base interactions energy: -618.346
where: short stacking energy: -257.690
Base-Backbone interact. energy: -0.929
local terms energy: -268.674323
where:
bonds (distance) C4'-P energy: -52.078
bonds (distance) P-C4' energy: -51.535
flat angles C4'-P-C4' energy: -64.763
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -64.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -863.315379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.315379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.315379 (E_RNA)
where:
Base-Base interactions energy: -595.666
where: short stacking energy: -255.045
Base-Backbone interact. energy: -0.573
local terms energy: -267.076271
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -59.586
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: -70.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -846.167041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.167041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.167041 (E_RNA)
where:
Base-Base interactions energy: -583.368
where: short stacking energy: -250.329
Base-Backbone interact. energy: 0.615
local terms energy: -263.414320
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -59.831
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -36.858
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -828.810099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.810099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.810099 (E_RNA)
where:
Base-Base interactions energy: -566.412
where: short stacking energy: -246.837
Base-Backbone interact. energy: -0.505
local terms energy: -261.893734
where:
bonds (distance) C4'-P energy: -47.134
bonds (distance) P-C4' energy: -48.494
flat angles C4'-P-C4' energy: -57.355
flat angles P-C4'-P energy: -36.987
tors. eta vs tors. theta energy: -71.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -744.763972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.763972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.763972 (E_RNA)
where:
Base-Base interactions energy: -510.478
where: short stacking energy: -224.314
Base-Backbone interact. energy: -0.295
local terms energy: -233.990310
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -47.674
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -32.315
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: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -721.054369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.054369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.054369 (E_RNA)
where:
Base-Base interactions energy: -480.009
where: short stacking energy: -209.087
Base-Backbone interact. energy: -1.531
local terms energy: -239.515315
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -37.842
tors. eta vs tors. theta energy: -54.711
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: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -708.092599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.092599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.092599 (E_RNA)
where:
Base-Base interactions energy: -491.217
where: short stacking energy: -205.602
Base-Backbone interact. energy: -0.238
local terms energy: -216.637787
where:
bonds (distance) C4'-P energy: -47.476
bonds (distance) P-C4' energy: -36.337
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -50.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -506.540342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.540342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.540342 (E_RNA)
where:
Base-Base interactions energy: -313.977
where: short stacking energy: -159.063
Base-Backbone interact. energy: -1.320
local terms energy: -191.243405
where:
bonds (distance) C4'-P energy: -35.443
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -49.481
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -234.804593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.804593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.804593 (E_RNA)
where:
Base-Base interactions energy: -89.703
where: short stacking energy: -71.048
Base-Backbone interact. energy: 1.558
local terms energy: -146.659762
where:
bonds (distance) C4'-P energy: -49.427
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: 4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -931.095952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.095952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.095952 (E_RNA)
where:
Base-Base interactions energy: -647.467
where: short stacking energy: -285.520
Base-Backbone interact. energy: -0.210
local terms energy: -283.418162
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -53.110
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -81.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -887.785222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.785222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.785222 (E_RNA)
where:
Base-Base interactions energy: -597.390
where: short stacking energy: -268.322
Base-Backbone interact. energy: -0.627
local terms energy: -289.768181
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -63.936
flat angles P-C4'-P energy: -34.688
tors. eta vs tors. theta energy: -80.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -860.769333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.769333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.769333 (E_RNA)
where:
Base-Base interactions energy: -571.876
where: short stacking energy: -256.738
Base-Backbone interact. energy: -0.586
local terms energy: -288.306491
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -51.719
flat angles C4'-P-C4' energy: -56.594
flat angles P-C4'-P energy: -42.743
tors. eta vs tors. theta energy: -76.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -828.111783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.111783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.111783 (E_RNA)
where:
Base-Base interactions energy: -566.324
where: short stacking energy: -226.855
Base-Backbone interact. energy: -0.270
local terms energy: -261.518276
where:
bonds (distance) C4'-P energy: -56.160
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -54.489
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -821.019794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.019794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.019794 (E_RNA)
where:
Base-Base interactions energy: -562.872
where: short stacking energy: -246.953
Base-Backbone interact. energy: -0.673
local terms energy: -257.474320
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -50.456
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -63.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -744.138806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.138806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.138806 (E_RNA)
where:
Base-Base interactions energy: -487.950
where: short stacking energy: -201.162
Base-Backbone interact. energy: -0.995
local terms energy: -255.194123
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -53.815
flat angles C4'-P-C4' energy: -51.552
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -53.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -713.709014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.709014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.709014 (E_RNA)
where:
Base-Base interactions energy: -478.722
where: short stacking energy: -204.170
Base-Backbone interact. energy: -0.640
local terms energy: -234.347107
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -48.396
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -52.120
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: 47
Temperature: 1.250000
Total energy: -690.472591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.472591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.472591 (E_RNA)
where:
Base-Base interactions energy: -465.216
where: short stacking energy: -194.396
Base-Backbone interact. energy: 0.217
local terms energy: -225.473277
where:
bonds (distance) C4'-P energy: -42.828
bonds (distance) P-C4' energy: -44.154
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -34.141
tors. eta vs tors. theta energy: -54.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -491.136471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.136471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.136471 (E_RNA)
where:
Base-Base interactions energy: -294.936
where: short stacking energy: -139.109
Base-Backbone interact. energy: 2.786
local terms energy: -198.985808
where:
bonds (distance) C4'-P energy: -35.951
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: -30.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -228.902467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.902467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.902467 (E_RNA)
where:
Base-Base interactions energy: -85.879
where: short stacking energy: -77.040
Base-Backbone interact. energy: 0.543
local terms energy: -143.566164
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -47.864
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: 4.806
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: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -896.758811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.758811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.758811 (E_RNA)
where:
Base-Base interactions energy: -608.787
where: short stacking energy: -264.525
Base-Backbone interact. energy: -1.678
local terms energy: -286.293273
where:
bonds (distance) C4'-P energy: -50.129
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -59.159
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -76.817
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: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -903.782662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.782662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.782662 (E_RNA)
where:
Base-Base interactions energy: -621.079
where: short stacking energy: -274.191
Base-Backbone interact. energy: -0.017
local terms energy: -282.686829
where:
bonds (distance) C4'-P energy: -50.785
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -63.915
flat angles P-C4'-P energy: -42.795
tors. eta vs tors. theta energy: -80.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -875.199661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.199661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.199661 (E_RNA)
where:
Base-Base interactions energy: -598.679
where: short stacking energy: -272.461
Base-Backbone interact. energy: 1.146
local terms energy: -277.666598
where:
bonds (distance) C4'-P energy: -47.589
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -62.795
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -78.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -828.800246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.800246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.800246 (E_RNA)
where:
Base-Base interactions energy: -582.681
where: short stacking energy: -240.162
Base-Backbone interact. energy: 2.029
local terms energy: -248.148671
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -828.047445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.047445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.047445 (E_RNA)
where:
Base-Base interactions energy: -556.461
where: short stacking energy: -236.986
Base-Backbone interact. energy: -1.125
local terms energy: -270.460518
where:
bonds (distance) C4'-P energy: -45.942
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -36.582
tors. eta vs tors. theta energy: -68.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -757.774919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.774919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.774919 (E_RNA)
where:
Base-Base interactions energy: -534.761
where: short stacking energy: -227.201
Base-Backbone interact. energy: -0.616
local terms energy: -222.398654
where:
bonds (distance) C4'-P energy: -35.234
bonds (distance) P-C4' energy: -48.916
flat angles C4'-P-C4' energy: -49.167
flat angles P-C4'-P energy: -26.288
tors. eta vs tors. theta energy: -62.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -710.644445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.644445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.644445 (E_RNA)
where:
Base-Base interactions energy: -470.349
where: short stacking energy: -198.567
Base-Backbone interact. energy: -0.905
local terms energy: -239.390605
where:
bonds (distance) C4'-P energy: -53.151
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -53.506
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -49.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -694.380201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.380201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.380201 (E_RNA)
where:
Base-Base interactions energy: -461.590
where: short stacking energy: -185.631
Base-Backbone interact. energy: -0.612
local terms energy: -232.178435
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -46.026
flat angles C4'-P-C4' energy: -50.197
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -49.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -500.011352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.011352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.011352 (E_RNA)
where:
Base-Base interactions energy: -296.349
where: short stacking energy: -155.194
Base-Backbone interact. energy: 1.156
local terms energy: -204.818477
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -52.888
flat angles C4'-P-C4' energy: -42.246
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -30.260
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: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -212.231822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.231822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.231822 (E_RNA)
where:
Base-Base interactions energy: -72.537
where: short stacking energy: -52.844
Base-Backbone interact. energy: -1.802
local terms energy: -137.892488
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -37.148
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: 19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -909.217049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.217049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.217049 (E_RNA)
where:
Base-Base interactions energy: -618.888
where: short stacking energy: -260.301
Base-Backbone interact. energy: -0.589
local terms energy: -289.740492
where:
bonds (distance) C4'-P energy: -56.010
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -77.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -868.250254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.250254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.250254 (E_RNA)
where:
Base-Base interactions energy: -593.280
where: short stacking energy: -262.732
Base-Backbone interact. energy: -1.260
local terms energy: -273.710185
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -57.876
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -39.924
tors. eta vs tors. theta energy: -71.050
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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -842.668173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.668173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.668173 (E_RNA)
where:
Base-Base interactions energy: -577.095
where: short stacking energy: -235.099
Base-Backbone interact. energy: -1.362
local terms energy: -264.211624
where:
bonds (distance) C4'-P energy: -55.745
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -55.782
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -72.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -816.407397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.407397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.407397 (E_RNA)
where:
Base-Base interactions energy: -565.312
where: short stacking energy: -234.884
Base-Backbone interact. energy: -0.677
local terms energy: -250.418892
where:
bonds (distance) C4'-P energy: -51.046
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -55.787
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: -68.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -819.974845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.974845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.974845 (E_RNA)
where:
Base-Base interactions energy: -567.649
where: short stacking energy: -230.317
Base-Backbone interact. energy: -0.045
local terms energy: -252.280513
where:
bonds (distance) C4'-P energy: -46.789
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -45.849
flat angles P-C4'-P energy: -38.580
tors. eta vs tors. theta energy: -66.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -751.964594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.964594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.964594 (E_RNA)
where:
Base-Base interactions energy: -522.192
where: short stacking energy: -227.882
Base-Backbone interact. energy: -0.524
local terms energy: -229.248224
where:
bonds (distance) C4'-P energy: -31.885
bonds (distance) P-C4' energy: -52.996
flat angles C4'-P-C4' energy: -43.549
flat angles P-C4'-P energy: -42.041
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -705.999384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.999384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.999384 (E_RNA)
where:
Base-Base interactions energy: -482.290
where: short stacking energy: -201.903
Base-Backbone interact. energy: -0.834
local terms energy: -222.875423
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -51.804
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: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -686.528337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.528337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.528337 (E_RNA)
where:
Base-Base interactions energy: -476.893
where: short stacking energy: -182.607
Base-Backbone interact. energy: -1.517
local terms energy: -208.118580
where:
bonds (distance) C4'-P energy: -44.347
bonds (distance) P-C4' energy: -34.233
flat angles C4'-P-C4' energy: -47.754
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -51.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -505.073887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.073887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.073887 (E_RNA)
where:
Base-Base interactions energy: -302.128
where: short stacking energy: -160.805
Base-Backbone interact. energy: 1.302
local terms energy: -204.247632
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -31.704
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: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -216.260021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.260021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.260021 (E_RNA)
where:
Base-Base interactions energy: -83.682
where: short stacking energy: -75.393
Base-Backbone interact. energy: -1.461
local terms energy: -131.116501
where:
bonds (distance) C4'-P energy: -37.608
bonds (distance) P-C4' energy: -41.869
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: 6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -900.700993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.700993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.700993 (E_RNA)
where:
Base-Base interactions energy: -627.539
where: short stacking energy: -273.646
Base-Backbone interact. energy: -0.528
local terms energy: -272.633716
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -57.994
flat angles C4'-P-C4' energy: -53.238
flat angles P-C4'-P energy: -38.309
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: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -880.817088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.817088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.817088 (E_RNA)
where:
Base-Base interactions energy: -609.935
where: short stacking energy: -263.258
Base-Backbone interact. energy: 1.008
local terms energy: -271.890087
where:
bonds (distance) C4'-P energy: -53.358
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -75.250
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: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -842.396085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.396085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.396085 (E_RNA)
where:
Base-Base interactions energy: -570.210
where: short stacking energy: -252.336
Base-Backbone interact. energy: -1.145
local terms energy: -271.040901
where:
bonds (distance) C4'-P energy: -51.481
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -64.195
flat angles P-C4'-P energy: -40.988
tors. eta vs tors. theta energy: -66.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -819.217839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.217839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.217839 (E_RNA)
where:
Base-Base interactions energy: -559.999
where: short stacking energy: -239.799
Base-Backbone interact. energy: 2.196
local terms energy: -261.414266
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -58.024
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -77.478
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: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -816.248569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.248569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.248569 (E_RNA)
where:
Base-Base interactions energy: -570.827
where: short stacking energy: -234.754
Base-Backbone interact. energy: -0.583
local terms energy: -244.838464
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -43.281
flat angles C4'-P-C4' energy: -53.895
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -65.640
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: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -769.705024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.705024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.705024 (E_RNA)
where:
Base-Base interactions energy: -531.144
where: short stacking energy: -236.507
Base-Backbone interact. energy: -0.715
local terms energy: -237.846186
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -47.528
flat angles P-C4'-P energy: -36.235
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -701.216624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.216624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.216624 (E_RNA)
where:
Base-Base interactions energy: -484.208
where: short stacking energy: -207.254
Base-Backbone interact. energy: -0.111
local terms energy: -216.898336
where:
bonds (distance) C4'-P energy: -37.576
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -55.489
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: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -710.168784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.168784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.168784 (E_RNA)
where:
Base-Base interactions energy: -484.842
where: short stacking energy: -207.653
Base-Backbone interact. energy: 0.099
local terms energy: -225.425851
where:
bonds (distance) C4'-P energy: -45.155
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -44.921
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -48.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -498.312784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.312784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.312784 (E_RNA)
where:
Base-Base interactions energy: -314.965
where: short stacking energy: -133.347
Base-Backbone interact. energy: -0.854
local terms energy: -182.493503
where:
bonds (distance) C4'-P energy: -38.280
bonds (distance) P-C4' energy: -47.666
flat angles C4'-P-C4' energy: -53.949
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -234.278639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.278639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.278639 (E_RNA)
where:
Base-Base interactions energy: -99.788
where: short stacking energy: -74.726
Base-Backbone interact. energy: 5.069
local terms energy: -139.559106
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: 6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -924.007119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.007119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.007119 (E_RNA)
where:
Base-Base interactions energy: -629.494
where: short stacking energy: -269.768
Base-Backbone interact. energy: 0.232
local terms energy: -294.745672
where:
bonds (distance) C4'-P energy: -54.887
bonds (distance) P-C4' energy: -61.785
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -74.788
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: 51
Temperature: 0.950000
Total energy: -884.904979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.904979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.904979 (E_RNA)
where:
Base-Base interactions energy: -612.861
where: short stacking energy: -256.525
Base-Backbone interact. energy: -1.082
local terms energy: -270.962235
where:
bonds (distance) C4'-P energy: -52.936
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -57.691
flat angles P-C4'-P energy: -38.548
tors. eta vs tors. theta energy: -76.007
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: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -860.551953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.551953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.551953 (E_RNA)
where:
Base-Base interactions energy: -580.774
where: short stacking energy: -235.982
Base-Backbone interact. energy: -1.062
local terms energy: -278.715254
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -51.458
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: -77.684
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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -836.063334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.063334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.063334 (E_RNA)
where:
Base-Base interactions energy: -579.277
where: short stacking energy: -234.356
Base-Backbone interact. energy: -1.714
local terms energy: -255.071599
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -53.031
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -67.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -808.125437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.125437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.125437 (E_RNA)
where:
Base-Base interactions energy: -562.929
where: short stacking energy: -237.041
Base-Backbone interact. energy: -0.784
local terms energy: -244.412132
where:
bonds (distance) C4'-P energy: -48.297
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -27.485
tors. eta vs tors. theta energy: -65.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -785.815628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.815628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.815628 (E_RNA)
where:
Base-Base interactions energy: -521.551
where: short stacking energy: -224.515
Base-Backbone interact. energy: 1.245
local terms energy: -265.508953
where:
bonds (distance) C4'-P energy: -53.982
bonds (distance) P-C4' energy: -56.087
flat angles C4'-P-C4' energy: -53.503
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: -59.848
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: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -693.562471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.562471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.562471 (E_RNA)
where:
Base-Base interactions energy: -462.828
where: short stacking energy: -199.632
Base-Backbone interact. energy: -0.260
local terms energy: -230.474604
where:
bonds (distance) C4'-P energy: -41.710
bonds (distance) P-C4' energy: -47.647
flat angles C4'-P-C4' energy: -49.036
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -52.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -669.903544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.903544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.903544 (E_RNA)
where:
Base-Base interactions energy: -448.947
where: short stacking energy: -167.670
Base-Backbone interact. energy: 0.074
local terms energy: -221.030466
where:
bonds (distance) C4'-P energy: -40.979
bonds (distance) P-C4' energy: -46.419
flat angles C4'-P-C4' energy: -54.466
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -42.847
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: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -510.511081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.511081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.511081 (E_RNA)
where:
Base-Base interactions energy: -319.253
where: short stacking energy: -152.986
Base-Backbone interact. energy: -1.941
local terms energy: -189.317067
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -53.738
flat angles C4'-P-C4' energy: -43.272
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -32.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -213.200039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.200039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.200039 (E_RNA)
where:
Base-Base interactions energy: -69.137
where: short stacking energy: -41.370
Base-Backbone interact. energy: 2.098
local terms energy: -146.161283
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -36.319
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: 7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -913.511413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.511413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.511413 (E_RNA)
where:
Base-Base interactions energy: -623.164
where: short stacking energy: -275.929
Base-Backbone interact. energy: 0.469
local terms energy: -290.816276
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -59.256
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -44.961
tors. eta vs tors. theta energy: -76.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -878.890391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.890391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.890391 (E_RNA)
where:
Base-Base interactions energy: -601.954
where: short stacking energy: -242.381
Base-Backbone interact. energy: -0.640
local terms energy: -276.296324
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -55.149
flat angles C4'-P-C4' energy: -65.387
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: -62.876
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: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -859.609022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.609022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.609022 (E_RNA)
where:
Base-Base interactions energy: -587.815
where: short stacking energy: -251.466
Base-Backbone interact. energy: -0.696
local terms energy: -271.098587
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -56.730
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -74.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -823.679996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.679996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.679996 (E_RNA)
where:
Base-Base interactions energy: -550.512
where: short stacking energy: -230.039
Base-Backbone interact. energy: -0.324
local terms energy: -272.844107
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -53.471
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: -71.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -828.559353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.559353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.559353 (E_RNA)
where:
Base-Base interactions energy: -579.020
where: short stacking energy: -239.739
Base-Backbone interact. energy: 0.348
local terms energy: -249.887888
where:
bonds (distance) C4'-P energy: -47.594
bonds (distance) P-C4' energy: -43.835
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -31.482
tors. eta vs tors. theta energy: -70.346
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: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -785.575761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.575761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.575761 (E_RNA)
where:
Base-Base interactions energy: -530.086
where: short stacking energy: -239.805
Base-Backbone interact. energy: 0.590
local terms energy: -256.080341
where:
bonds (distance) C4'-P energy: -49.050
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -62.070
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -67.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -711.626887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.626887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.626887 (E_RNA)
where:
Base-Base interactions energy: -464.284
where: short stacking energy: -190.661
Base-Backbone interact. energy: -1.457
local terms energy: -245.885508
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -46.061
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -50.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -675.220726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.220726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.220726 (E_RNA)
where:
Base-Base interactions energy: -450.567
where: short stacking energy: -182.880
Base-Backbone interact. energy: -2.146
local terms energy: -222.507785
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -44.773
flat angles C4'-P-C4' energy: -47.107
flat angles P-C4'-P energy: -34.023
tors. eta vs tors. theta energy: -47.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -531.530926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.530926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.530926 (E_RNA)
where:
Base-Base interactions energy: -337.450
where: short stacking energy: -168.426
Base-Backbone interact. energy: -1.027
local terms energy: -193.053253
where:
bonds (distance) C4'-P energy: -50.150
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -43.150
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -30.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -269.334305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.334305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.334305 (E_RNA)
where:
Base-Base interactions energy: -120.544
where: short stacking energy: -86.729
Base-Backbone interact. energy: 2.066
local terms energy: -150.856722
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -47.141
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -909.904175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.904175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.904175 (E_RNA)
where:
Base-Base interactions energy: -640.563
where: short stacking energy: -277.849
Base-Backbone interact. energy: 1.850
local terms energy: -271.191194
where:
bonds (distance) C4'-P energy: -50.957
bonds (distance) P-C4' energy: -52.737
flat angles C4'-P-C4' energy: -62.516
flat angles P-C4'-P energy: -35.157
tors. eta vs tors. theta energy: -69.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -877.467287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.467287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.467287 (E_RNA)
where:
Base-Base interactions energy: -598.383
where: short stacking energy: -255.039
Base-Backbone interact. energy: 1.964
local terms energy: -281.048073
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -72.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -851.983145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.983145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.983145 (E_RNA)
where:
Base-Base interactions energy: -569.260
where: short stacking energy: -258.499
Base-Backbone interact. energy: -0.760
local terms energy: -281.963393
where:
bonds (distance) C4'-P energy: -52.958
bonds (distance) P-C4' energy: -52.971
flat angles C4'-P-C4' energy: -55.499
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -77.426
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: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -839.971500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.971500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.971500 (E_RNA)
where:
Base-Base interactions energy: -566.616
where: short stacking energy: -238.784
Base-Backbone interact. energy: -0.351
local terms energy: -273.003868
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -58.526
flat angles C4'-P-C4' energy: -63.566
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -70.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -804.915028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.915028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.915028 (E_RNA)
where:
Base-Base interactions energy: -544.852
where: short stacking energy: -214.654
Base-Backbone interact. energy: -0.218
local terms energy: -259.845416
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -61.170
flat angles P-C4'-P energy: -37.964
tors. eta vs tors. theta energy: -61.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -787.331480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.331480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.331480 (E_RNA)
where:
Base-Base interactions energy: -558.115
where: short stacking energy: -232.422
Base-Backbone interact. energy: -2.094
local terms energy: -227.122524
where:
bonds (distance) C4'-P energy: -40.089
bonds (distance) P-C4' energy: -45.696
flat angles C4'-P-C4' energy: -48.891
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -59.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -737.744255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.744255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.744255 (E_RNA)
where:
Base-Base interactions energy: -515.289
where: short stacking energy: -235.054
Base-Backbone interact. energy: -1.215
local terms energy: -221.240114
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -30.966
tors. eta vs tors. theta energy: -53.911
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: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -674.685536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.685536 (E_RNA)
where:
Base-Base interactions energy: -458.903
where: short stacking energy: -189.764
Base-Backbone interact. energy: -1.398
local terms energy: -214.385258
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -50.051
flat angles C4'-P-C4' energy: -49.005
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -40.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -493.936199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.936199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.936199 (E_RNA)
where:
Base-Base interactions energy: -309.049
where: short stacking energy: -147.298
Base-Backbone interact. energy: 1.771
local terms energy: -186.658544
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -41.012
flat angles C4'-P-C4' energy: -49.891
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -33.982
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: 53
Temperature: 1.350000
Total energy: -245.444515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.444515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.444515 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -58.684
Base-Backbone interact. energy: 2.096
local terms energy: -147.828848
where:
bonds (distance) C4'-P energy: -43.297
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -40.442
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: 12.299
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: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -900.066911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.066911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.066911 (E_RNA)
where:
Base-Base interactions energy: -608.587
where: short stacking energy: -265.849
Base-Backbone interact. energy: 0.011
local terms energy: -291.490703
where:
bonds (distance) C4'-P energy: -52.515
bonds (distance) P-C4' energy: -60.156
flat angles C4'-P-C4' energy: -61.675
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -75.375
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: 54
Temperature: 0.950000
Total energy: -865.617516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.617516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.617516 (E_RNA)
where:
Base-Base interactions energy: -599.793
where: short stacking energy: -262.538
Base-Backbone interact. energy: -0.644
local terms energy: -265.180791
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -47.289
flat angles C4'-P-C4' energy: -64.440
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -70.781
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: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -854.992866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.992866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.992866 (E_RNA)
where:
Base-Base interactions energy: -585.294
where: short stacking energy: -252.349
Base-Backbone interact. energy: 1.349
local terms energy: -271.048288
where:
bonds (distance) C4'-P energy: -51.475
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -72.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -835.187684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.187684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.187684 (E_RNA)
where:
Base-Base interactions energy: -566.654
where: short stacking energy: -237.958
Base-Backbone interact. energy: -1.054
local terms energy: -267.479519
where:
bonds (distance) C4'-P energy: -56.079
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -55.099
flat angles P-C4'-P energy: -45.390
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: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -804.179642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.179642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.179642 (E_RNA)
where:
Base-Base interactions energy: -570.703
where: short stacking energy: -236.580
Base-Backbone interact. energy: -0.356
local terms energy: -233.120399
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -63.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -756.032465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.032465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.032465 (E_RNA)
where:
Base-Base interactions energy: -520.615
where: short stacking energy: -216.616
Base-Backbone interact. energy: -0.100
local terms energy: -235.317343
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -40.487
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -63.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -751.713193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.713193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.713193 (E_RNA)
where:
Base-Base interactions energy: -505.082
where: short stacking energy: -225.105
Base-Backbone interact. energy: -1.111
local terms energy: -245.520487
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -45.159
flat angles C4'-P-C4' energy: -45.215
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -66.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -696.172950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.172950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.172950 (E_RNA)
where:
Base-Base interactions energy: -466.320
where: short stacking energy: -201.997
Base-Backbone interact. energy: 1.267
local terms energy: -231.120114
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -51.212
flat angles C4'-P-C4' energy: -53.334
flat angles P-C4'-P energy: -31.762
tors. eta vs tors. theta energy: -53.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -494.773877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.773877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.773877 (E_RNA)
where:
Base-Base interactions energy: -305.578
where: short stacking energy: -160.495
Base-Backbone interact. energy: -0.472
local terms energy: -188.723357
where:
bonds (distance) C4'-P energy: -50.400
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -42.743
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -32.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -206.536313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.536313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.536313 (E_RNA)
where:
Base-Base interactions energy: -68.783
where: short stacking energy: -56.400
Base-Backbone interact. energy: 2.257
local terms energy: -140.010700
where:
bonds (distance) C4'-P energy: -48.026
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -37.230
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: 3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -904.970272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.970272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.970272 (E_RNA)
where:
Base-Base interactions energy: -624.112
where: short stacking energy: -261.316
Base-Backbone interact. energy: -1.362
local terms energy: -279.496356
where:
bonds (distance) C4'-P energy: -54.349
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -59.338
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -79.523
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -858.503159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.503159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.503159 (E_RNA)
where:
Base-Base interactions energy: -597.706
where: short stacking energy: -264.446
Base-Backbone interact. energy: 2.114
local terms energy: -262.911052
where:
bonds (distance) C4'-P energy: -48.985
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -58.255
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -66.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -842.333767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.333767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.333767 (E_RNA)
where:
Base-Base interactions energy: -577.941
where: short stacking energy: -246.111
Base-Backbone interact. energy: -1.088
local terms energy: -263.304191
where:
bonds (distance) C4'-P energy: -47.889
bonds (distance) P-C4' energy: -49.735
flat angles C4'-P-C4' energy: -63.674
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -60.962
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: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -822.786739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.786739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.786739 (E_RNA)
where:
Base-Base interactions energy: -570.314
where: short stacking energy: -242.575
Base-Backbone interact. energy: -1.446
local terms energy: -251.026612
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -43.054
flat angles C4'-P-C4' energy: -52.902
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -66.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -811.340181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.340181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.340181 (E_RNA)
where:
Base-Base interactions energy: -558.598
where: short stacking energy: -249.641
Base-Backbone interact. energy: -3.663
local terms energy: -249.078913
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -74.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -775.200202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.200202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.200202 (E_RNA)
where:
Base-Base interactions energy: -548.887
where: short stacking energy: -230.003
Base-Backbone interact. energy: 0.542
local terms energy: -226.855223
where:
bonds (distance) C4'-P energy: -35.913
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -52.577
flat angles P-C4'-P energy: -30.613
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: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -713.996862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.996862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.996862 (E_RNA)
where:
Base-Base interactions energy: -490.732
where: short stacking energy: -194.106
Base-Backbone interact. energy: -0.413
local terms energy: -222.852000
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -44.405
flat angles C4'-P-C4' energy: -60.331
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: -49.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -676.213946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.213946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.213946 (E_RNA)
where:
Base-Base interactions energy: -462.560
where: short stacking energy: -185.143
Base-Backbone interact. energy: -0.530
local terms energy: -213.124105
where:
bonds (distance) C4'-P energy: -46.152
bonds (distance) P-C4' energy: -52.587
flat angles C4'-P-C4' energy: -41.102
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -49.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -493.953446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.953446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.953446 (E_RNA)
where:
Base-Base interactions energy: -299.860
where: short stacking energy: -135.365
Base-Backbone interact. energy: -0.135
local terms energy: -193.958431
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -54.876
flat angles C4'-P-C4' energy: -48.576
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -225.082968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.082968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.082968 (E_RNA)
where:
Base-Base interactions energy: -85.082
where: short stacking energy: -73.748
Base-Backbone interact. energy: 4.473
local terms energy: -144.473666
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -38.160
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: 8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -907.217489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.217489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.217489 (E_RNA)
where:
Base-Base interactions energy: -621.684
where: short stacking energy: -266.859
Base-Backbone interact. energy: -1.247
local terms energy: -284.286587
where:
bonds (distance) C4'-P energy: -53.864
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -77.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -885.185353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.185353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.185353 (E_RNA)
where:
Base-Base interactions energy: -603.532
where: short stacking energy: -265.127
Base-Backbone interact. energy: -0.736
local terms energy: -280.917126
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -52.216
flat angles C4'-P-C4' energy: -61.514
flat angles P-C4'-P energy: -32.245
tors. eta vs tors. theta energy: -79.621
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: 56
Temperature: 1.000000
Total energy: -848.848682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.848682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.848682 (E_RNA)
where:
Base-Base interactions energy: -582.037
where: short stacking energy: -245.406
Base-Backbone interact. energy: 0.241
local terms energy: -267.052622
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -44.633
tors. eta vs tors. theta energy: -66.257
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: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -831.251208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.251208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.251208 (E_RNA)
where:
Base-Base interactions energy: -593.286
where: short stacking energy: -252.811
Base-Backbone interact. energy: 0.608
local terms energy: -238.573663
where:
bonds (distance) C4'-P energy: -46.336
bonds (distance) P-C4' energy: -39.202
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -67.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -797.143041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.143041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.143041 (E_RNA)
where:
Base-Base interactions energy: -546.466
where: short stacking energy: -246.389
Base-Backbone interact. energy: 0.832
local terms energy: -251.508719
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -43.544
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -32.632
tors. eta vs tors. theta energy: -63.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -776.474968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.474968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.474968 (E_RNA)
where:
Base-Base interactions energy: -540.842
where: short stacking energy: -233.765
Base-Backbone interact. energy: -0.820
local terms energy: -234.813830
where:
bonds (distance) C4'-P energy: -42.677
bonds (distance) P-C4' energy: -44.777
flat angles C4'-P-C4' energy: -49.181
flat angles P-C4'-P energy: -31.299
tors. eta vs tors. theta energy: -66.881
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: 56
Temperature: 1.200000
Total energy: -699.269945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.269945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.269945 (E_RNA)
where:
Base-Base interactions energy: -457.121
where: short stacking energy: -190.216
Base-Backbone interact. energy: -1.655
local terms energy: -240.493413
where:
bonds (distance) C4'-P energy: -51.239
bonds (distance) P-C4' energy: -49.684
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -49.465
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: 56
Temperature: 1.250000
Total energy: -676.290342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.290342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.290342 (E_RNA)
where:
Base-Base interactions energy: -459.120
where: short stacking energy: -191.807
Base-Backbone interact. energy: -0.542
local terms energy: -216.628228
where:
bonds (distance) C4'-P energy: -46.526
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -52.609
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -47.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -499.590013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.590013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.590013 (E_RNA)
where:
Base-Base interactions energy: -302.387
where: short stacking energy: -154.408
Base-Backbone interact. energy: -1.917
local terms energy: -195.286571
where:
bonds (distance) C4'-P energy: -39.521
bonds (distance) P-C4' energy: -46.119
flat angles C4'-P-C4' energy: -44.957
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -41.080
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: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -228.881744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.881744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.881744 (E_RNA)
where:
Base-Base interactions energy: -76.655
where: short stacking energy: -64.268
Base-Backbone interact. energy: 1.552
local terms energy: -153.779076
where:
bonds (distance) C4'-P energy: -48.300
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: 8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -896.625501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.625501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.625501 (E_RNA)
where:
Base-Base interactions energy: -601.048
where: short stacking energy: -258.453
Base-Backbone interact. energy: -0.726
local terms energy: -294.850885
where:
bonds (distance) C4'-P energy: -55.269
bonds (distance) P-C4' energy: -56.777
flat angles C4'-P-C4' energy: -64.539
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -77.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -884.795307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.795307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.795307 (E_RNA)
where:
Base-Base interactions energy: -610.925
where: short stacking energy: -266.686
Base-Backbone interact. energy: -0.880
local terms energy: -272.990122
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -53.833
flat angles C4'-P-C4' energy: -57.784
flat angles P-C4'-P energy: -38.309
tors. eta vs tors. theta energy: -74.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -872.102764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.102764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.102764 (E_RNA)
where:
Base-Base interactions energy: -593.395
where: short stacking energy: -264.966
Base-Backbone interact. energy: -0.080
local terms energy: -278.627182
where:
bonds (distance) C4'-P energy: -52.379
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -39.079
tors. eta vs tors. theta energy: -79.180
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: 57
Temperature: 1.050000
Total energy: -834.549385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.549385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.549385 (E_RNA)
where:
Base-Base interactions energy: -578.384
where: short stacking energy: -239.819
Base-Backbone interact. energy: 0.337
local terms energy: -256.502480
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -46.879
flat angles C4'-P-C4' energy: -54.898
flat angles P-C4'-P energy: -33.467
tors. eta vs tors. theta energy: -64.924
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: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -796.899029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.899029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.899029 (E_RNA)
where:
Base-Base interactions energy: -535.483
where: short stacking energy: -243.994
Base-Backbone interact. energy: -0.143
local terms energy: -261.273023
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -41.036
flat angles C4'-P-C4' energy: -55.338
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -72.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -814.250234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.250234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.250234 (E_RNA)
where:
Base-Base interactions energy: -572.298
where: short stacking energy: -222.399
Base-Backbone interact. energy: -0.012
local terms energy: -241.940164
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -53.847
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -65.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -684.743952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.743952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.743952 (E_RNA)
where:
Base-Base interactions energy: -453.566
where: short stacking energy: -184.670
Base-Backbone interact. energy: -1.077
local terms energy: -230.101012
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -48.227
flat angles C4'-P-C4' energy: -56.142
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -48.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -659.054180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.054180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.054180 (E_RNA)
where:
Base-Base interactions energy: -457.203
where: short stacking energy: -192.347
Base-Backbone interact. energy: -0.976
local terms energy: -200.874950
where:
bonds (distance) C4'-P energy: -45.885
bonds (distance) P-C4' energy: -38.798
flat angles C4'-P-C4' energy: -47.013
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -45.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -435.143441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.143441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.143441 (E_RNA)
where:
Base-Base interactions energy: -267.284
where: short stacking energy: -119.212
Base-Backbone interact. energy: -0.639
local terms energy: -167.220673
where:
bonds (distance) C4'-P energy: -42.416
bonds (distance) P-C4' energy: -42.109
flat angles C4'-P-C4' energy: -45.525
flat angles P-C4'-P energy: -17.968
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -247.397942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.397942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.397942 (E_RNA)
where:
Base-Base interactions energy: -111.848
where: short stacking energy: -93.049
Base-Backbone interact. energy: -0.911
local terms energy: -134.639032
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -905.558413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.558413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.558413 (E_RNA)
where:
Base-Base interactions energy: -623.811
where: short stacking energy: -278.258
Base-Backbone interact. energy: -0.405
local terms energy: -281.341840
where:
bonds (distance) C4'-P energy: -58.470
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -73.122
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: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -878.053652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.053652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.053652 (E_RNA)
where:
Base-Base interactions energy: -588.820
where: short stacking energy: -260.743
Base-Backbone interact. energy: 0.262
local terms energy: -289.495626
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -59.864
flat angles P-C4'-P energy: -50.000
tors. eta vs tors. theta energy: -81.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -865.103608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.103608 (E_RNA)
where:
Base-Base interactions energy: -593.038
where: short stacking energy: -259.470
Base-Backbone interact. energy: 0.329
local terms energy: -272.394032
where:
bonds (distance) C4'-P energy: -53.713
bonds (distance) P-C4' energy: -55.701
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -40.472
tors. eta vs tors. theta energy: -68.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -832.818474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.818474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.818474 (E_RNA)
where:
Base-Base interactions energy: -578.816
where: short stacking energy: -241.657
Base-Backbone interact. energy: -0.530
local terms energy: -253.472405
where:
bonds (distance) C4'-P energy: -49.289
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -58.803
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -66.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -790.636599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.636599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.636599 (E_RNA)
where:
Base-Base interactions energy: -548.950
where: short stacking energy: -232.646
Base-Backbone interact. energy: -3.289
local terms energy: -238.396766
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -47.196
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -62.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -817.989647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.989647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.989647 (E_RNA)
where:
Base-Base interactions energy: -561.277
where: short stacking energy: -230.198
Base-Backbone interact. energy: 0.040
local terms energy: -256.751857
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -52.376
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -66.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -723.039510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.039510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.039510 (E_RNA)
where:
Base-Base interactions energy: -498.754
where: short stacking energy: -215.821
Base-Backbone interact. energy: 0.176
local terms energy: -224.461845
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -46.846
flat angles C4'-P-C4' energy: -49.434
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -58.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -656.667058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.667058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.667058 (E_RNA)
where:
Base-Base interactions energy: -459.071
where: short stacking energy: -185.146
Base-Backbone interact. energy: -1.219
local terms energy: -196.377189
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -47.179
flat angles P-C4'-P energy: -28.353
tors. eta vs tors. theta energy: -32.043
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: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -391.249805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.249805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.249805 (E_RNA)
where:
Base-Base interactions energy: -204.454
where: short stacking energy: -109.219
Base-Backbone interact. energy: -0.396
local terms energy: -186.399923
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -55.015
flat angles C4'-P-C4' energy: -38.729
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -222.517707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.517707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.517707 (E_RNA)
where:
Base-Base interactions energy: -91.236
where: short stacking energy: -75.422
Base-Backbone interact. energy: -1.236
local terms energy: -130.046454
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -46.297
flat angles C4'-P-C4' energy: -38.570
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: 2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -887.046311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.046311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.046311 (E_RNA)
where:
Base-Base interactions energy: -601.099
where: short stacking energy: -258.715
Base-Backbone interact. energy: -0.231
local terms energy: -285.715533
where:
bonds (distance) C4'-P energy: -55.692
bonds (distance) P-C4' energy: -56.168
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -70.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -867.279503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.279503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.279503 (E_RNA)
where:
Base-Base interactions energy: -579.015
where: short stacking energy: -239.949
Base-Backbone interact. energy: -1.766
local terms energy: -286.498870
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -64.044
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -74.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -882.446120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.446120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.446120 (E_RNA)
where:
Base-Base interactions energy: -614.243
where: short stacking energy: -268.193
Base-Backbone interact. energy: 0.552
local terms energy: -268.754436
where:
bonds (distance) C4'-P energy: -48.805
bonds (distance) P-C4' energy: -42.601
flat angles C4'-P-C4' energy: -61.887
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -73.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -829.998300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.998300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.998300 (E_RNA)
where:
Base-Base interactions energy: -560.774
where: short stacking energy: -251.196
Base-Backbone interact. energy: -1.541
local terms energy: -267.682972
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -61.020
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -70.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -812.346499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.346499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.346499 (E_RNA)
where:
Base-Base interactions energy: -562.317
where: short stacking energy: -238.715
Base-Backbone interact. energy: -0.696
local terms energy: -249.333436
where:
bonds (distance) C4'-P energy: -41.986
bonds (distance) P-C4' energy: -52.599
flat angles C4'-P-C4' energy: -49.153
flat angles P-C4'-P energy: -36.745
tors. eta vs tors. theta energy: -68.851
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: 59
Temperature: 1.150000
Total energy: -803.674608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.674608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.674608 (E_RNA)
where:
Base-Base interactions energy: -550.472
where: short stacking energy: -237.179
Base-Backbone interact. energy: -0.172
local terms energy: -253.030664
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -54.810
flat angles P-C4'-P energy: -25.970
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: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -726.422320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.422320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.422320 (E_RNA)
where:
Base-Base interactions energy: -495.506
where: short stacking energy: -215.001
Base-Backbone interact. energy: -1.610
local terms energy: -229.306480
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -48.713
flat angles P-C4'-P energy: -31.921
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: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -678.773948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.773948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.773948 (E_RNA)
where:
Base-Base interactions energy: -459.168
where: short stacking energy: -195.196
Base-Backbone interact. energy: 0.742
local terms energy: -220.347214
where:
bonds (distance) C4'-P energy: -51.591
bonds (distance) P-C4' energy: -43.256
flat angles C4'-P-C4' energy: -50.133
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -41.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -345.189137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.189137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.189137 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -99.090
Base-Backbone interact. energy: -0.778
local terms energy: -171.814960
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -40.057
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -21.482
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: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -215.131555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.131555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.131555 (E_RNA)
where:
Base-Base interactions energy: -78.356
where: short stacking energy: -56.629
Base-Backbone interact. energy: -1.165
local terms energy: -135.610777
where:
bonds (distance) C4'-P energy: -44.298
bonds (distance) P-C4' energy: -40.246
flat angles C4'-P-C4' energy: -40.100
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: 7.073
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: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -893.290391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.290391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.290391 (E_RNA)
where:
Base-Base interactions energy: -598.449
where: short stacking energy: -260.143
Base-Backbone interact. energy: -0.721
local terms energy: -294.120398
where:
bonds (distance) C4'-P energy: -59.243
bonds (distance) P-C4' energy: -52.313
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -42.917
tors. eta vs tors. theta energy: -79.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -879.737932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.737932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.737932 (E_RNA)
where:
Base-Base interactions energy: -590.820
where: short stacking energy: -265.504
Base-Backbone interact. energy: -0.873
local terms energy: -288.044571
where:
bonds (distance) C4'-P energy: -54.710
bonds (distance) P-C4' energy: -59.922
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -71.986
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: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -837.659579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.659579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.659579 (E_RNA)
where:
Base-Base interactions energy: -564.862
where: short stacking energy: -238.158
Base-Backbone interact. energy: -0.426
local terms energy: -272.371236
where:
bonds (distance) C4'-P energy: -50.133
bonds (distance) P-C4' energy: -54.140
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -68.811
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: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -843.989521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.989521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.989521 (E_RNA)
where:
Base-Base interactions energy: -569.872
where: short stacking energy: -245.153
Base-Backbone interact. energy: -0.758
local terms energy: -273.359310
where:
bonds (distance) C4'-P energy: -47.486
bonds (distance) P-C4' energy: -52.988
flat angles C4'-P-C4' energy: -59.954
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -72.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -811.538044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.538044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.538044 (E_RNA)
where:
Base-Base interactions energy: -552.083
where: short stacking energy: -251.777
Base-Backbone interact. energy: -0.988
local terms energy: -258.467141
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -57.921
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -76.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -762.408308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.408308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.408308 (E_RNA)
where:
Base-Base interactions energy: -524.525
where: short stacking energy: -213.480
Base-Backbone interact. energy: -2.218
local terms energy: -235.665926
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -46.492
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -60.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -694.994294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.994294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.994294 (E_RNA)
where:
Base-Base interactions energy: -483.872
where: short stacking energy: -189.695
Base-Backbone interact. energy: -0.120
local terms energy: -211.002068
where:
bonds (distance) C4'-P energy: -45.624
bonds (distance) P-C4' energy: -45.997
flat angles C4'-P-C4' energy: -44.404
flat angles P-C4'-P energy: -31.732
tors. eta vs tors. theta energy: -43.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -667.358451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.358451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.358451 (E_RNA)
where:
Base-Base interactions energy: -453.500
where: short stacking energy: -189.590
Base-Backbone interact. energy: -0.278
local terms energy: -213.580327
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -25.270
tors. eta vs tors. theta energy: -51.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -366.493612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.493612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.493612 (E_RNA)
where:
Base-Base interactions energy: -190.875
where: short stacking energy: -97.409
Base-Backbone interact. energy: -0.739
local terms energy: -174.880319
where:
bonds (distance) C4'-P energy: -54.192
bonds (distance) P-C4' energy: -40.987
flat angles C4'-P-C4' energy: -42.114
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -223.890965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.890965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.890965 (E_RNA)
where:
Base-Base interactions energy: -76.883
where: short stacking energy: -48.776
Base-Backbone interact. energy: -0.617
local terms energy: -146.391611
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -31.296
tors. eta vs tors. theta energy: 10.520
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: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -904.791784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.791784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.791784 (E_RNA)
where:
Base-Base interactions energy: -614.660
where: short stacking energy: -267.141
Base-Backbone interact. energy: -0.811
local terms energy: -289.320086
where:
bonds (distance) C4'-P energy: -51.497
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -45.080
tors. eta vs tors. theta energy: -73.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -843.495578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.495578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.495578 (E_RNA)
where:
Base-Base interactions energy: -584.173
where: short stacking energy: -258.066
Base-Backbone interact. energy: -0.373
local terms energy: -258.950180
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -42.963
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -65.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -854.111711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.111711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.111711 (E_RNA)
where:
Base-Base interactions energy: -586.055
where: short stacking energy: -249.077
Base-Backbone interact. energy: -0.380
local terms energy: -267.676374
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -49.080
flat angles C4'-P-C4' energy: -54.465
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -69.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -835.190214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.190214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.190214 (E_RNA)
where:
Base-Base interactions energy: -564.557
where: short stacking energy: -245.791
Base-Backbone interact. energy: -1.322
local terms energy: -269.311308
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -45.937
flat angles C4'-P-C4' energy: -56.707
flat angles P-C4'-P energy: -37.687
tors. eta vs tors. theta energy: -75.580
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -809.559513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.559513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.559513 (E_RNA)
where:
Base-Base interactions energy: -552.099
where: short stacking energy: -238.750
Base-Backbone interact. energy: -1.202
local terms energy: -256.258797
where:
bonds (distance) C4'-P energy: -56.679
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -61.540
flat angles P-C4'-P energy: -30.758
tors. eta vs tors. theta energy: -63.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -785.093707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.093707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.093707 (E_RNA)
where:
Base-Base interactions energy: -533.760
where: short stacking energy: -222.054
Base-Backbone interact. energy: -0.494
local terms energy: -250.839471
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -47.019
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -698.718530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.718530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.718530 (E_RNA)
where:
Base-Base interactions energy: -470.692
where: short stacking energy: -202.994
Base-Backbone interact. energy: -1.568
local terms energy: -226.458042
where:
bonds (distance) C4'-P energy: -51.104
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -51.429
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -46.521
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: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -670.989618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.989618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.989618 (E_RNA)
where:
Base-Base interactions energy: -455.669
where: short stacking energy: -199.268
Base-Backbone interact. energy: 0.614
local terms energy: -215.934380
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -52.064
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -389.178543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.178543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.178543 (E_RNA)
where:
Base-Base interactions energy: -206.312
where: short stacking energy: -112.301
Base-Backbone interact. energy: 0.795
local terms energy: -183.660948
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -47.302
flat angles P-C4'-P energy: -31.928
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -233.212736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.212736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.212736 (E_RNA)
where:
Base-Base interactions energy: -76.743
where: short stacking energy: -48.156
Base-Backbone interact. energy: -1.083
local terms energy: -155.386120
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -54.221
flat angles C4'-P-C4' energy: -33.607
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: 9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -905.721857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.721857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.721857 (E_RNA)
where:
Base-Base interactions energy: -612.712
where: short stacking energy: -275.498
Base-Backbone interact. energy: -1.649
local terms energy: -291.360518
where:
bonds (distance) C4'-P energy: -51.668
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -63.903
flat angles P-C4'-P energy: -42.132
tors. eta vs tors. theta energy: -77.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -845.458646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.458646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.458646 (E_RNA)
where:
Base-Base interactions energy: -573.066
where: short stacking energy: -252.674
Base-Backbone interact. energy: -0.823
local terms energy: -271.568956
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -57.095
flat angles C4'-P-C4' energy: -50.724
flat angles P-C4'-P energy: -43.937
tors. eta vs tors. theta energy: -71.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -861.157552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.157552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.157552 (E_RNA)
where:
Base-Base interactions energy: -599.467
where: short stacking energy: -240.604
Base-Backbone interact. energy: 1.315
local terms energy: -263.005480
where:
bonds (distance) C4'-P energy: -57.282
bonds (distance) P-C4' energy: -37.857
flat angles C4'-P-C4' energy: -63.039
flat angles P-C4'-P energy: -42.109
tors. eta vs tors. theta energy: -62.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -853.766926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.766926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.766926 (E_RNA)
where:
Base-Base interactions energy: -588.628
where: short stacking energy: -260.049
Base-Backbone interact. energy: -0.595
local terms energy: -264.544199
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -74.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -787.774939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.774939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.774939 (E_RNA)
where:
Base-Base interactions energy: -550.224
where: short stacking energy: -214.608
Base-Backbone interact. energy: -0.388
local terms energy: -237.163023
where:
bonds (distance) C4'-P energy: -40.798
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -51.155
flat angles P-C4'-P energy: -33.278
tors. eta vs tors. theta energy: -55.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -782.228538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.228538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.228538 (E_RNA)
where:
Base-Base interactions energy: -541.353
where: short stacking energy: -232.484
Base-Backbone interact. energy: 3.941
local terms energy: -244.815854
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -65.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -743.609099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.609099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.609099 (E_RNA)
where:
Base-Base interactions energy: -502.720
where: short stacking energy: -227.912
Base-Backbone interact. energy: -0.697
local terms energy: -240.192071
where:
bonds (distance) C4'-P energy: -43.570
bonds (distance) P-C4' energy: -49.301
flat angles C4'-P-C4' energy: -54.484
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -57.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -661.502388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.502388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.502388 (E_RNA)
where:
Base-Base interactions energy: -443.400
where: short stacking energy: -170.149
Base-Backbone interact. energy: -0.881
local terms energy: -217.221424
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -60.063
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -40.294
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: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -394.921427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.921427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.921427 (E_RNA)
where:
Base-Base interactions energy: -214.838
where: short stacking energy: -113.405
Base-Backbone interact. energy: -0.573
local terms energy: -179.510524
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -41.935
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -33.674
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -235.755542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.755542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.755542 (E_RNA)
where:
Base-Base interactions energy: -96.579
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.750
local terms energy: -138.426621
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -48.694
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: 12.247
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: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -906.294023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.294023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.294023 (E_RNA)
where:
Base-Base interactions energy: -619.001
where: short stacking energy: -274.862
Base-Backbone interact. energy: 1.449
local terms energy: -288.741477
where:
bonds (distance) C4'-P energy: -51.143
bonds (distance) P-C4' energy: -54.139
flat angles C4'-P-C4' energy: -64.896
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -77.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -892.827450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.827450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.827450 (E_RNA)
where:
Base-Base interactions energy: -616.278
where: short stacking energy: -272.933
Base-Backbone interact. energy: -2.073
local terms energy: -274.476931
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -53.313
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -40.476
tors. eta vs tors. theta energy: -78.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -831.666056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.666056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.666056 (E_RNA)
where:
Base-Base interactions energy: -576.192
where: short stacking energy: -242.279
Base-Backbone interact. energy: -0.171
local terms energy: -255.303711
where:
bonds (distance) C4'-P energy: -46.386
bonds (distance) P-C4' energy: -48.263
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -70.525
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: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -845.763930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.763930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.763930 (E_RNA)
where:
Base-Base interactions energy: -578.163
where: short stacking energy: -240.182
Base-Backbone interact. energy: -2.481
local terms energy: -265.120612
where:
bonds (distance) C4'-P energy: -49.534
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -58.494
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -70.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -783.617393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.617393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.617393 (E_RNA)
where:
Base-Base interactions energy: -520.415
where: short stacking energy: -210.399
Base-Backbone interact. energy: -0.820
local terms energy: -262.381755
where:
bonds (distance) C4'-P energy: -57.046
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -53.437
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -59.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -803.817226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.817226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.817226 (E_RNA)
where:
Base-Base interactions energy: -555.016
where: short stacking energy: -232.638
Base-Backbone interact. energy: -0.600
local terms energy: -248.201090
where:
bonds (distance) C4'-P energy: -46.539
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -61.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -751.415860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.415860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.415860 (E_RNA)
where:
Base-Base interactions energy: -513.024
where: short stacking energy: -210.274
Base-Backbone interact. energy: -0.200
local terms energy: -238.191722
where:
bonds (distance) C4'-P energy: -45.206
bonds (distance) P-C4' energy: -42.159
flat angles C4'-P-C4' energy: -49.100
flat angles P-C4'-P energy: -35.987
tors. eta vs tors. theta energy: -65.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -694.355751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.355751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.355751 (E_RNA)
where:
Base-Base interactions energy: -469.288
where: short stacking energy: -187.772
Base-Backbone interact. energy: -0.557
local terms energy: -224.510520
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -51.254
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -53.616
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: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -438.233794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.233794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.233794 (E_RNA)
where:
Base-Base interactions energy: -262.397
where: short stacking energy: -141.991
Base-Backbone interact. energy: 1.289
local terms energy: -177.125471
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -13.351
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: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -221.764211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.764211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.764211 (E_RNA)
where:
Base-Base interactions energy: -73.058
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.873
local terms energy: -147.833118
where:
bonds (distance) C4'-P energy: -40.558
bonds (distance) P-C4' energy: -44.012
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -8.400
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: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -922.617855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.617855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.617855 (E_RNA)
where:
Base-Base interactions energy: -641.206
where: short stacking energy: -260.266
Base-Backbone interact. energy: -1.144
local terms energy: -280.268441
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -51.467
flat angles C4'-P-C4' energy: -62.569
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -76.051
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: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -872.947454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.947454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.947454 (E_RNA)
where:
Base-Base interactions energy: -600.144
where: short stacking energy: -262.898
Base-Backbone interact. energy: -0.837
local terms energy: -271.966211
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -49.896
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -38.064
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: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -857.310250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.310250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.310250 (E_RNA)
where:
Base-Base interactions energy: -586.410
where: short stacking energy: -247.087
Base-Backbone interact. energy: -1.153
local terms energy: -269.747924
where:
bonds (distance) C4'-P energy: -50.285
bonds (distance) P-C4' energy: -49.763
flat angles C4'-P-C4' energy: -61.862
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -72.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -848.126034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.126034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.126034 (E_RNA)
where:
Base-Base interactions energy: -593.608
where: short stacking energy: -252.030
Base-Backbone interact. energy: -0.294
local terms energy: -254.224160
where:
bonds (distance) C4'-P energy: -48.204
bonds (distance) P-C4' energy: -45.529
flat angles C4'-P-C4' energy: -59.240
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -65.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -816.882355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.882355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.882355 (E_RNA)
where:
Base-Base interactions energy: -577.074
where: short stacking energy: -240.434
Base-Backbone interact. energy: -0.431
local terms energy: -239.377475
where:
bonds (distance) C4'-P energy: -37.221
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -38.220
tors. eta vs tors. theta energy: -69.258
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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -745.624084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.624084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.624084 (E_RNA)
where:
Base-Base interactions energy: -527.026
where: short stacking energy: -194.871
Base-Backbone interact. energy: 0.081
local terms energy: -218.678919
where:
bonds (distance) C4'-P energy: -47.232
bonds (distance) P-C4' energy: -39.270
flat angles C4'-P-C4' energy: -43.994
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -761.004349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.004349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.004349 (E_RNA)
where:
Base-Base interactions energy: -523.690
where: short stacking energy: -218.287
Base-Backbone interact. energy: -0.298
local terms energy: -237.016119
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -48.774
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: -65.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -683.141655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.141655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.141655 (E_RNA)
where:
Base-Base interactions energy: -456.722
where: short stacking energy: -179.126
Base-Backbone interact. energy: 0.854
local terms energy: -227.274413
where:
bonds (distance) C4'-P energy: -45.155
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -41.039
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -52.426
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: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -439.016939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.016939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.016939 (E_RNA)
where:
Base-Base interactions energy: -257.185
where: short stacking energy: -124.581
Base-Backbone interact. energy: 3.376
local terms energy: -185.208098
where:
bonds (distance) C4'-P energy: -43.010
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -27.337
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -222.370809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.370809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.370809 (E_RNA)
where:
Base-Base interactions energy: -77.703
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.958
local terms energy: -143.709642
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -32.932
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -902.996545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.996545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.996545 (E_RNA)
where:
Base-Base interactions energy: -617.666
where: short stacking energy: -258.237
Base-Backbone interact. energy: -0.083
local terms energy: -285.247170
where:
bonds (distance) C4'-P energy: -51.328
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -74.827
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: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -875.568376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.568376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.568376 (E_RNA)
where:
Base-Base interactions energy: -605.683
where: short stacking energy: -256.129
Base-Backbone interact. energy: -1.103
local terms energy: -268.782521
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -56.335
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -74.538
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: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -869.772138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.772138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.772138 (E_RNA)
where:
Base-Base interactions energy: -607.595
where: short stacking energy: -266.655
Base-Backbone interact. energy: -1.863
local terms energy: -260.313999
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -53.373
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -77.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -849.862639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.862639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.862639 (E_RNA)
where:
Base-Base interactions energy: -595.471
where: short stacking energy: -232.039
Base-Backbone interact. energy: 0.804
local terms energy: -255.195782
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -53.847
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -73.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -812.039433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.039433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.039433 (E_RNA)
where:
Base-Base interactions energy: -548.462
where: short stacking energy: -230.403
Base-Backbone interact. energy: -2.027
local terms energy: -261.549866
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -56.056
flat angles C4'-P-C4' energy: -61.208
flat angles P-C4'-P energy: -33.278
tors. eta vs tors. theta energy: -63.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -789.687520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.687520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.687520 (E_RNA)
where:
Base-Base interactions energy: -525.362
where: short stacking energy: -225.793
Base-Backbone interact. energy: -0.539
local terms energy: -263.786939
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -49.317
flat angles C4'-P-C4' energy: -64.126
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -72.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -736.862017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.862017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.862017 (E_RNA)
where:
Base-Base interactions energy: -498.369
where: short stacking energy: -205.634
Base-Backbone interact. energy: -0.731
local terms energy: -237.761967
where:
bonds (distance) C4'-P energy: -46.751
bonds (distance) P-C4' energy: -43.877
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -37.666
tors. eta vs tors. theta energy: -52.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -660.876089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.876089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.876089 (E_RNA)
where:
Base-Base interactions energy: -434.656
where: short stacking energy: -180.122
Base-Backbone interact. energy: -0.166
local terms energy: -226.053730
where:
bonds (distance) C4'-P energy: -51.441
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -37.227
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: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -420.993460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.993460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.993460 (E_RNA)
where:
Base-Base interactions energy: -233.459
where: short stacking energy: -119.224
Base-Backbone interact. energy: 0.192
local terms energy: -187.726274
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -45.285
flat angles P-C4'-P energy: -31.788
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -230.638628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.638628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.638628 (E_RNA)
where:
Base-Base interactions energy: -80.105
where: short stacking energy: -73.866
Base-Backbone interact. energy: 0.504
local terms energy: -151.038156
where:
bonds (distance) C4'-P energy: -52.024
bonds (distance) P-C4' energy: -43.856
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -905.008553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.008553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.008553 (E_RNA)
where:
Base-Base interactions energy: -617.364
where: short stacking energy: -263.374
Base-Backbone interact. energy: -0.531
local terms energy: -287.113945
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -60.736
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -76.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -861.287496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.287496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.287496 (E_RNA)
where:
Base-Base interactions energy: -594.343
where: short stacking energy: -254.396
Base-Backbone interact. energy: -0.402
local terms energy: -266.542663
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -54.294
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -72.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -878.921853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.921853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.921853 (E_RNA)
where:
Base-Base interactions energy: -602.799
where: short stacking energy: -256.515
Base-Backbone interact. energy: -1.408
local terms energy: -274.714819
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -57.572
flat angles C4'-P-C4' energy: -60.021
flat angles P-C4'-P energy: -35.202
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: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -838.954802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.954802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.954802 (E_RNA)
where:
Base-Base interactions energy: -575.619
where: short stacking energy: -227.949
Base-Backbone interact. energy: -0.662
local terms energy: -262.674412
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -50.319
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -63.533
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: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -804.542872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.542872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.542872 (E_RNA)
where:
Base-Base interactions energy: -550.479
where: short stacking energy: -245.599
Base-Backbone interact. energy: -0.162
local terms energy: -253.901931
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -38.286
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: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -787.332535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.332535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.332535 (E_RNA)
where:
Base-Base interactions energy: -538.496
where: short stacking energy: -218.376
Base-Backbone interact. energy: 0.370
local terms energy: -249.206777
where:
bonds (distance) C4'-P energy: -52.513
bonds (distance) P-C4' energy: -38.239
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -64.103
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: 66
Temperature: 1.200000
Total energy: -739.054574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.054574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.054574 (E_RNA)
where:
Base-Base interactions energy: -510.858
where: short stacking energy: -201.774
Base-Backbone interact. energy: -0.417
local terms energy: -227.778801
where:
bonds (distance) C4'-P energy: -48.716
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -59.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -623.478180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.478180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.478180 (E_RNA)
where:
Base-Base interactions energy: -435.092
where: short stacking energy: -172.225
Base-Backbone interact. energy: 0.283
local terms energy: -188.670164
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -46.863
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -33.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -472.132291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.132291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.132291 (E_RNA)
where:
Base-Base interactions energy: -295.925
where: short stacking energy: -137.079
Base-Backbone interact. energy: 0.729
local terms energy: -176.935850
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -44.791
flat angles C4'-P-C4' energy: -42.201
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -220.060091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.060091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.060091 (E_RNA)
where:
Base-Base interactions energy: -80.385
where: short stacking energy: -75.092
Base-Backbone interact. energy: -0.047
local terms energy: -139.628037
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -49.682
flat angles C4'-P-C4' energy: -39.266
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -911.687359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.687359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.687359 (E_RNA)
where:
Base-Base interactions energy: -621.117
where: short stacking energy: -275.413
Base-Backbone interact. energy: -0.661
local terms energy: -289.909142
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -64.223
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: -77.682
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: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -882.809615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.809615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.809615 (E_RNA)
where:
Base-Base interactions energy: -611.245
where: short stacking energy: -262.376
Base-Backbone interact. energy: -0.523
local terms energy: -271.041096
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -55.044
flat angles P-C4'-P energy: -40.886
tors. eta vs tors. theta energy: -75.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -871.499921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.499921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.499921 (E_RNA)
where:
Base-Base interactions energy: -587.049
where: short stacking energy: -258.872
Base-Backbone interact. energy: 1.392
local terms energy: -285.843305
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -72.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -833.213372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.213372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.213372 (E_RNA)
where:
Base-Base interactions energy: -546.334
where: short stacking energy: -250.741
Base-Backbone interact. energy: -0.023
local terms energy: -286.856197
where:
bonds (distance) C4'-P energy: -55.232
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -76.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -813.862915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.862915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.862915 (E_RNA)
where:
Base-Base interactions energy: -564.304
where: short stacking energy: -232.453
Base-Backbone interact. energy: -0.584
local terms energy: -248.974848
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -45.008
flat angles C4'-P-C4' energy: -63.468
flat angles P-C4'-P energy: -34.220
tors. eta vs tors. theta energy: -68.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -821.086945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.086945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.086945 (E_RNA)
where:
Base-Base interactions energy: -568.960
where: short stacking energy: -235.669
Base-Backbone interact. energy: 1.155
local terms energy: -253.282654
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -59.785
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -70.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -705.714326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.714326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.714326 (E_RNA)
where:
Base-Base interactions energy: -474.792
where: short stacking energy: -198.416
Base-Backbone interact. energy: -0.964
local terms energy: -229.957953
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -38.745
flat angles C4'-P-C4' energy: -52.330
flat angles P-C4'-P energy: -36.994
tors. eta vs tors. theta energy: -58.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -695.189163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.189163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.189163 (E_RNA)
where:
Base-Base interactions energy: -488.809
where: short stacking energy: -203.482
Base-Backbone interact. energy: -0.133
local terms energy: -206.247573
where:
bonds (distance) C4'-P energy: -45.512
bonds (distance) P-C4' energy: -37.334
flat angles C4'-P-C4' energy: -42.730
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -477.175586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.175586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.175586 (E_RNA)
where:
Base-Base interactions energy: -281.840
where: short stacking energy: -129.959
Base-Backbone interact. energy: -0.501
local terms energy: -194.834323
where:
bonds (distance) C4'-P energy: -39.051
bonds (distance) P-C4' energy: -54.755
flat angles C4'-P-C4' energy: -39.148
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -30.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -228.129768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.129768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.129768 (E_RNA)
where:
Base-Base interactions energy: -82.954
where: short stacking energy: -78.969
Base-Backbone interact. energy: -1.539
local terms energy: -143.636985
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -47.969
flat angles C4'-P-C4' energy: -37.075
flat angles P-C4'-P energy: -27.808
tors. eta vs tors. theta energy: -2.229
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: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -885.341354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.341354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.341354 (E_RNA)
where:
Base-Base interactions energy: -602.843
where: short stacking energy: -277.146
Base-Backbone interact. energy: -1.018
local terms energy: -281.480410
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -67.457
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -72.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -893.386208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.386208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.386208 (E_RNA)
where:
Base-Base interactions energy: -605.961
where: short stacking energy: -276.951
Base-Backbone interact. energy: -0.406
local terms energy: -287.018867
where:
bonds (distance) C4'-P energy: -44.989
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -64.649
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -82.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -866.851301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.851301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.851301 (E_RNA)
where:
Base-Base interactions energy: -598.702
where: short stacking energy: -254.708
Base-Backbone interact. energy: -0.937
local terms energy: -267.212548
where:
bonds (distance) C4'-P energy: -47.480
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -52.462
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -74.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -831.546550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.546550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.546550 (E_RNA)
where:
Base-Base interactions energy: -564.754
where: short stacking energy: -260.110
Base-Backbone interact. energy: -0.824
local terms energy: -265.968907
where:
bonds (distance) C4'-P energy: -44.071
bonds (distance) P-C4' energy: -55.306
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -36.634
tors. eta vs tors. theta energy: -72.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -821.637726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.637726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.637726 (E_RNA)
where:
Base-Base interactions energy: -556.745
where: short stacking energy: -241.987
Base-Backbone interact. energy: -2.531
local terms energy: -262.361772
where:
bonds (distance) C4'-P energy: -56.188
bonds (distance) P-C4' energy: -52.169
flat angles C4'-P-C4' energy: -48.160
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -70.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -776.170484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.170484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.170484 (E_RNA)
where:
Base-Base interactions energy: -544.642
where: short stacking energy: -224.145
Base-Backbone interact. energy: -1.076
local terms energy: -230.452737
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -54.845
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -60.724
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: 68
Temperature: 1.200000
Total energy: -723.801520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.801520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.801520 (E_RNA)
where:
Base-Base interactions energy: -500.663
where: short stacking energy: -199.069
Base-Backbone interact. energy: -1.179
local terms energy: -221.959010
where:
bonds (distance) C4'-P energy: -48.586
bonds (distance) P-C4' energy: -40.031
flat angles C4'-P-C4' energy: -52.673
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -50.444
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -714.769933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.769933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.769933 (E_RNA)
where:
Base-Base interactions energy: -489.083
where: short stacking energy: -205.589
Base-Backbone interact. energy: 0.557
local terms energy: -226.243730
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -50.996
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -52.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -486.267255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.267255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.267255 (E_RNA)
where:
Base-Base interactions energy: -305.131
where: short stacking energy: -154.826
Base-Backbone interact. energy: -0.555
local terms energy: -180.581610
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -45.356
flat angles C4'-P-C4' energy: -36.376
flat angles P-C4'-P energy: -25.852
tors. eta vs tors. theta energy: -28.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -255.577079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.577079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.577079 (E_RNA)
where:
Base-Base interactions energy: -115.360
where: short stacking energy: -65.985
Base-Backbone interact. energy: -1.181
local terms energy: -139.035980
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -36.102
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: 1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -895.861853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.861853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.861853 (E_RNA)
where:
Base-Base interactions energy: -601.686
where: short stacking energy: -276.818
Base-Backbone interact. energy: -0.892
local terms energy: -293.283467
where:
bonds (distance) C4'-P energy: -54.268
bonds (distance) P-C4' energy: -54.974
flat angles C4'-P-C4' energy: -57.366
flat angles P-C4'-P energy: -45.477
tors. eta vs tors. theta energy: -81.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -890.117444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.117444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.117444 (E_RNA)
where:
Base-Base interactions energy: -615.693
where: short stacking energy: -268.924
Base-Backbone interact. energy: -0.705
local terms energy: -273.719673
where:
bonds (distance) C4'-P energy: -51.031
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -76.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -857.173447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.173447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.173447 (E_RNA)
where:
Base-Base interactions energy: -582.647
where: short stacking energy: -250.577
Base-Backbone interact. energy: -0.038
local terms energy: -274.488207
where:
bonds (distance) C4'-P energy: -46.567
bonds (distance) P-C4' energy: -62.342
flat angles C4'-P-C4' energy: -63.998
flat angles P-C4'-P energy: -33.636
tors. eta vs tors. theta energy: -67.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -840.412431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.412431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.412431 (E_RNA)
where:
Base-Base interactions energy: -573.300
where: short stacking energy: -250.110
Base-Backbone interact. energy: -1.020
local terms energy: -266.092033
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -51.561
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -39.895
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: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -841.686612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.686612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.686612 (E_RNA)
where:
Base-Base interactions energy: -576.529
where: short stacking energy: -239.705
Base-Backbone interact. energy: 6.458
local terms energy: -271.615637
where:
bonds (distance) C4'-P energy: -47.406
bonds (distance) P-C4' energy: -56.699
flat angles C4'-P-C4' energy: -55.675
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -77.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -790.731667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.731667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.731667 (E_RNA)
where:
Base-Base interactions energy: -546.809
where: short stacking energy: -221.976
Base-Backbone interact. energy: -1.534
local terms energy: -242.388838
where:
bonds (distance) C4'-P energy: -46.286
bonds (distance) P-C4' energy: -41.049
flat angles C4'-P-C4' energy: -57.125
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -61.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -717.479279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.479279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.479279 (E_RNA)
where:
Base-Base interactions energy: -483.177
where: short stacking energy: -190.180
Base-Backbone interact. energy: -1.434
local terms energy: -232.868802
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -49.308
flat angles C4'-P-C4' energy: -52.380
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -43.848
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: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -731.629502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.629502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.629502 (E_RNA)
where:
Base-Base interactions energy: -511.411
where: short stacking energy: -209.035
Base-Backbone interact. energy: -1.262
local terms energy: -218.956880
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -34.512
flat angles C4'-P-C4' energy: -48.961
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -57.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -461.027859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.027859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.027859 (E_RNA)
where:
Base-Base interactions energy: -287.603
where: short stacking energy: -132.760
Base-Backbone interact. energy: -1.918
local terms energy: -171.506414
where:
bonds (distance) C4'-P energy: -41.362
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -56.318
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -243.153438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.153438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.153438 (E_RNA)
where:
Base-Base interactions energy: -91.588
where: short stacking energy: -78.253
Base-Backbone interact. energy: 4.963
local terms energy: -156.528700
where:
bonds (distance) C4'-P energy: -47.794
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: 4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -911.661055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.661055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.661055 (E_RNA)
where:
Base-Base interactions energy: -623.148
where: short stacking energy: -283.307
Base-Backbone interact. energy: 1.908
local terms energy: -290.421606
where:
bonds (distance) C4'-P energy: -54.599
bonds (distance) P-C4' energy: -53.169
flat angles C4'-P-C4' energy: -57.892
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -81.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -884.181983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.181983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.181983 (E_RNA)
where:
Base-Base interactions energy: -596.694
where: short stacking energy: -260.882
Base-Backbone interact. energy: -0.541
local terms energy: -286.946671
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -42.039
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: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -874.987577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.987577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.987577 (E_RNA)
where:
Base-Base interactions energy: -593.635
where: short stacking energy: -263.014
Base-Backbone interact. energy: 0.874
local terms energy: -282.226548
where:
bonds (distance) C4'-P energy: -52.077
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -62.986
flat angles P-C4'-P energy: -43.904
tors. eta vs tors. theta energy: -71.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -824.831497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.831497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.831497 (E_RNA)
where:
Base-Base interactions energy: -552.975
where: short stacking energy: -245.196
Base-Backbone interact. energy: -0.401
local terms energy: -271.455791
where:
bonds (distance) C4'-P energy: -48.356
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -36.192
tors. eta vs tors. theta energy: -72.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -852.646493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.646493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.646493 (E_RNA)
where:
Base-Base interactions energy: -581.981
where: short stacking energy: -241.280
Base-Backbone interact. energy: -1.665
local terms energy: -269.001317
where:
bonds (distance) C4'-P energy: -46.115
bonds (distance) P-C4' energy: -56.662
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -66.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -792.266558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.266558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.266558 (E_RNA)
where:
Base-Base interactions energy: -554.604
where: short stacking energy: -237.533
Base-Backbone interact. energy: -1.911
local terms energy: -235.752266
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -50.959
flat angles C4'-P-C4' energy: -51.478
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -61.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -745.478357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.478357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.478357 (E_RNA)
where:
Base-Base interactions energy: -504.956
where: short stacking energy: -206.806
Base-Backbone interact. energy: -0.852
local terms energy: -239.670770
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -50.949
flat angles P-C4'-P energy: -35.282
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: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -679.174780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.174780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.174780 (E_RNA)
where:
Base-Base interactions energy: -477.197
where: short stacking energy: -182.887
Base-Backbone interact. energy: -1.391
local terms energy: -200.586155
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -44.010
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: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -473.079178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.079178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.079178 (E_RNA)
where:
Base-Base interactions energy: -300.417
where: short stacking energy: -140.126
Base-Backbone interact. energy: -1.415
local terms energy: -171.247186
where:
bonds (distance) C4'-P energy: -39.754
bonds (distance) P-C4' energy: -50.978
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -22.216
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: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -225.244626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.244626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.244626 (E_RNA)
where:
Base-Base interactions energy: -82.563
where: short stacking energy: -75.001
Base-Backbone interact. energy: -1.004
local terms energy: -141.678096
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: 2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -919.443177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.443177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.443177 (E_RNA)
where:
Base-Base interactions energy: -625.409
where: short stacking energy: -276.074
Base-Backbone interact. energy: -0.038
local terms energy: -293.996587
where:
bonds (distance) C4'-P energy: -55.510
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -63.560
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -86.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -898.353689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.353689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.353689 (E_RNA)
where:
Base-Base interactions energy: -611.396
where: short stacking energy: -261.381
Base-Backbone interact. energy: -0.943
local terms energy: -286.015174
where:
bonds (distance) C4'-P energy: -52.358
bonds (distance) P-C4' energy: -54.405
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -76.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -846.808927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.808927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.808927 (E_RNA)
where:
Base-Base interactions energy: -576.543
where: short stacking energy: -252.849
Base-Backbone interact. energy: 1.220
local terms energy: -271.486164
where:
bonds (distance) C4'-P energy: -53.550
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -35.373
tors. eta vs tors. theta energy: -67.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -843.617668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.617668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.617668 (E_RNA)
where:
Base-Base interactions energy: -576.501
where: short stacking energy: -251.788
Base-Backbone interact. energy: -0.997
local terms energy: -266.118968
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -69.360
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -818.656139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.656139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.656139 (E_RNA)
where:
Base-Base interactions energy: -562.023
where: short stacking energy: -242.243
Base-Backbone interact. energy: -0.138
local terms energy: -256.494979
where:
bonds (distance) C4'-P energy: -46.734
bonds (distance) P-C4' energy: -49.588
flat angles C4'-P-C4' energy: -49.849
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -72.545
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: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -792.702854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.702854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.702854 (E_RNA)
where:
Base-Base interactions energy: -554.625
where: short stacking energy: -223.114
Base-Backbone interact. energy: -0.904
local terms energy: -237.173792
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -54.880
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: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -753.522476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.522476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.522476 (E_RNA)
where:
Base-Base interactions energy: -526.439
where: short stacking energy: -237.033
Base-Backbone interact. energy: -3.216
local terms energy: -223.867780
where:
bonds (distance) C4'-P energy: -36.539
bonds (distance) P-C4' energy: -45.718
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -63.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -666.282697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.282697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.282697 (E_RNA)
where:
Base-Base interactions energy: -455.944
where: short stacking energy: -194.731
Base-Backbone interact. energy: -0.735
local terms energy: -209.603770
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -42.479
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -54.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -514.916979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.916979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.916979 (E_RNA)
where:
Base-Base interactions energy: -308.031
where: short stacking energy: -124.409
Base-Backbone interact. energy: -2.546
local terms energy: -204.339903
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -41.473
flat angles C4'-P-C4' energy: -47.659
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -30.674
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: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -225.081813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.081813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.081813 (E_RNA)
where:
Base-Base interactions energy: -86.010
where: short stacking energy: -58.808
Base-Backbone interact. energy: 0.460
local terms energy: -139.531869
where:
bonds (distance) C4'-P energy: -42.709
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -23.267
tors. eta vs tors. theta energy: 10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -917.581341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.581341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.581341 (E_RNA)
where:
Base-Base interactions energy: -623.768
where: short stacking energy: -275.523
Base-Backbone interact. energy: -0.576
local terms energy: -293.237434
where:
bonds (distance) C4'-P energy: -55.378
bonds (distance) P-C4' energy: -58.972
flat angles C4'-P-C4' energy: -54.192
flat angles P-C4'-P energy: -48.429
tors. eta vs tors. theta energy: -76.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -877.698695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.698695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.698695 (E_RNA)
where:
Base-Base interactions energy: -603.701
where: short stacking energy: -258.717
Base-Backbone interact. energy: -0.845
local terms energy: -273.152703
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -43.129
tors. eta vs tors. theta energy: -72.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -834.719087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.719087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.719087 (E_RNA)
where:
Base-Base interactions energy: -577.555
where: short stacking energy: -247.703
Base-Backbone interact. energy: -1.413
local terms energy: -255.751770
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -52.692
flat angles C4'-P-C4' energy: -54.606
flat angles P-C4'-P energy: -37.477
tors. eta vs tors. theta energy: -66.159
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: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -847.320463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.320463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.320463 (E_RNA)
where:
Base-Base interactions energy: -576.681
where: short stacking energy: -245.581
Base-Backbone interact. energy: 1.613
local terms energy: -272.253006
where:
bonds (distance) C4'-P energy: -56.614
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -53.377
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -73.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -809.203378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.203378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.203378 (E_RNA)
where:
Base-Base interactions energy: -535.395
where: short stacking energy: -209.800
Base-Backbone interact. energy: -0.790
local terms energy: -273.018485
where:
bonds (distance) C4'-P energy: -44.005
bonds (distance) P-C4' energy: -60.987
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -67.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -771.871671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.871671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.871671 (E_RNA)
where:
Base-Base interactions energy: -524.143
where: short stacking energy: -216.846
Base-Backbone interact. energy: -1.990
local terms energy: -245.738805
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -54.404
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: -52.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -762.458921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.458921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.458921 (E_RNA)
where:
Base-Base interactions energy: -537.494
where: short stacking energy: -221.976
Base-Backbone interact. energy: -0.267
local terms energy: -224.697654
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -48.177
flat angles C4'-P-C4' energy: -53.200
flat angles P-C4'-P energy: -33.310
tors. eta vs tors. theta energy: -54.581
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: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -718.477741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.477741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.477741 (E_RNA)
where:
Base-Base interactions energy: -481.092
where: short stacking energy: -206.993
Base-Backbone interact. energy: -0.760
local terms energy: -236.625513
where:
bonds (distance) C4'-P energy: -41.328
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -55.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -476.803964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.803964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.803964 (E_RNA)
where:
Base-Base interactions energy: -300.129
where: short stacking energy: -161.418
Base-Backbone interact. energy: -0.767
local terms energy: -175.907644
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -47.552
flat angles P-C4'-P energy: -29.748
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -256.437309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.437309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.437309 (E_RNA)
where:
Base-Base interactions energy: -109.794
where: short stacking energy: -68.941
Base-Backbone interact. energy: -0.588
local terms energy: -146.056078
where:
bonds (distance) C4'-P energy: -39.711
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -38.367
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: 13.735
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: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -902.528963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.528963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.528963 (E_RNA)
where:
Base-Base interactions energy: -613.739
where: short stacking energy: -261.963
Base-Backbone interact. energy: -0.126
local terms energy: -288.664073
where:
bonds (distance) C4'-P energy: -57.794
bonds (distance) P-C4' energy: -56.728
flat angles C4'-P-C4' energy: -55.769
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -84.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -885.122983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.122983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.122983 (E_RNA)
where:
Base-Base interactions energy: -596.488
where: short stacking energy: -261.152
Base-Backbone interact. energy: -0.769
local terms energy: -287.865834
where:
bonds (distance) C4'-P energy: -51.805
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -75.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -852.802138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.802138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.802138 (E_RNA)
where:
Base-Base interactions energy: -577.571
where: short stacking energy: -248.480
Base-Backbone interact. energy: -0.471
local terms energy: -274.759400
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -38.896
tors. eta vs tors. theta energy: -74.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -849.565426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.565426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.565426 (E_RNA)
where:
Base-Base interactions energy: -592.961
where: short stacking energy: -260.017
Base-Backbone interact. energy: 0.370
local terms energy: -256.974683
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -55.714
flat angles P-C4'-P energy: -37.283
tors. eta vs tors. theta energy: -69.718
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: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -826.606539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.606539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.606539 (E_RNA)
where:
Base-Base interactions energy: -576.782
where: short stacking energy: -245.778
Base-Backbone interact. energy: -0.542
local terms energy: -249.282190
where:
bonds (distance) C4'-P energy: -39.135
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -56.849
flat angles P-C4'-P energy: -31.042
tors. eta vs tors. theta energy: -70.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -785.782068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.782068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.782068 (E_RNA)
where:
Base-Base interactions energy: -545.892
where: short stacking energy: -242.270
Base-Backbone interact. energy: -1.460
local terms energy: -238.430356
where:
bonds (distance) C4'-P energy: -40.406
bonds (distance) P-C4' energy: -48.236
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -67.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -783.509933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.509933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.509933 (E_RNA)
where:
Base-Base interactions energy: -538.155
where: short stacking energy: -231.743
Base-Backbone interact. energy: -0.805
local terms energy: -244.549981
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -62.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -697.007248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.007248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.007248 (E_RNA)
where:
Base-Base interactions energy: -475.596
where: short stacking energy: -192.504
Base-Backbone interact. energy: -0.769
local terms energy: -220.642371
where:
bonds (distance) C4'-P energy: -32.973
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -47.491
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -46.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -500.158965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.158965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.158965 (E_RNA)
where:
Base-Base interactions energy: -324.532
where: short stacking energy: -135.301
Base-Backbone interact. energy: 3.228
local terms energy: -178.855750
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -44.269
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -229.997987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.997987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.997987 (E_RNA)
where:
Base-Base interactions energy: -85.786
where: short stacking energy: -70.071
Base-Backbone interact. energy: 10.799
local terms energy: -155.011480
where:
bonds (distance) C4'-P energy: -43.682
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -37.358
flat angles P-C4'-P energy: -27.856
tors. eta vs tors. theta energy: 2.599
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: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -897.514752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.514752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.514752 (E_RNA)
where:
Base-Base interactions energy: -609.733
where: short stacking energy: -271.805
Base-Backbone interact. energy: -0.491
local terms energy: -287.291210
where:
bonds (distance) C4'-P energy: -55.117
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -44.081
tors. eta vs tors. theta energy: -78.862
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: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -899.203559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.203559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.203559 (E_RNA)
where:
Base-Base interactions energy: -601.475
where: short stacking energy: -257.289
Base-Backbone interact. energy: -0.154
local terms energy: -297.574743
where:
bonds (distance) C4'-P energy: -57.396
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -82.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -890.250764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.250764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.250764 (E_RNA)
where:
Base-Base interactions energy: -622.836
where: short stacking energy: -274.212
Base-Backbone interact. energy: 2.771
local terms energy: -270.186197
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -50.214
flat angles C4'-P-C4' energy: -53.985
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -80.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -831.183393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.183393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.183393 (E_RNA)
where:
Base-Base interactions energy: -563.064
where: short stacking energy: -244.751
Base-Backbone interact. energy: 2.755
local terms energy: -270.874197
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -55.259
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -36.885
tors. eta vs tors. theta energy: -67.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -833.721867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.721867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.721867 (E_RNA)
where:
Base-Base interactions energy: -572.281
where: short stacking energy: -245.159
Base-Backbone interact. energy: -1.424
local terms energy: -260.016212
where:
bonds (distance) C4'-P energy: -46.922
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -50.845
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -75.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -793.814926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.814926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.814926 (E_RNA)
where:
Base-Base interactions energy: -548.279
where: short stacking energy: -228.444
Base-Backbone interact. energy: -1.266
local terms energy: -244.270031
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -65.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -757.272415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.272415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.272415 (E_RNA)
where:
Base-Base interactions energy: -508.329
where: short stacking energy: -216.560
Base-Backbone interact. energy: -0.286
local terms energy: -248.657684
where:
bonds (distance) C4'-P energy: -42.704
bonds (distance) P-C4' energy: -52.768
flat angles C4'-P-C4' energy: -50.073
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -60.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -719.507460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.507460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.507460 (E_RNA)
where:
Base-Base interactions energy: -506.066
where: short stacking energy: -197.972
Base-Backbone interact. energy: 0.596
local terms energy: -214.036773
where:
bonds (distance) C4'-P energy: -40.382
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -45.165
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -55.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -546.738271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.738271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.738271 (E_RNA)
where:
Base-Base interactions energy: -337.797
where: short stacking energy: -149.780
Base-Backbone interact. energy: -0.477
local terms energy: -208.463395
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -46.094
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: -37.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -213.852070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852070 (E_RNA)
where:
Base-Base interactions energy: -82.377
where: short stacking energy: -70.109
Base-Backbone interact. energy: 5.023
local terms energy: -136.497785
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -0.609
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: 75
Temperature: 0.900000
Total energy: -909.999052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.999052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.999052 (E_RNA)
where:
Base-Base interactions energy: -604.200
where: short stacking energy: -260.633
Base-Backbone interact. energy: -0.526
local terms energy: -305.273879
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -63.653
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -72.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -880.897841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.897841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.897841 (E_RNA)
where:
Base-Base interactions energy: -618.441
where: short stacking energy: -253.755
Base-Backbone interact. energy: 1.432
local terms energy: -263.888562
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -49.751
flat angles C4'-P-C4' energy: -58.673
flat angles P-C4'-P energy: -38.222
tors. eta vs tors. theta energy: -71.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -873.879601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.879601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.879601 (E_RNA)
where:
Base-Base interactions energy: -599.112
where: short stacking energy: -265.477
Base-Backbone interact. energy: -0.069
local terms energy: -274.699504
where:
bonds (distance) C4'-P energy: -42.626
bonds (distance) P-C4' energy: -49.830
flat angles C4'-P-C4' energy: -60.083
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -80.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -851.700799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.700799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.700799 (E_RNA)
where:
Base-Base interactions energy: -589.896
where: short stacking energy: -254.625
Base-Backbone interact. energy: -0.604
local terms energy: -261.201205
where:
bonds (distance) C4'-P energy: -41.968
bonds (distance) P-C4' energy: -48.353
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -39.321
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: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -791.195859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.195859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.195859 (E_RNA)
where:
Base-Base interactions energy: -538.460
where: short stacking energy: -233.971
Base-Backbone interact. energy: -0.223
local terms energy: -252.512294
where:
bonds (distance) C4'-P energy: -48.299
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -58.377
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -57.356
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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -754.437281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.437281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.437281 (E_RNA)
where:
Base-Base interactions energy: -521.110
where: short stacking energy: -232.535
Base-Backbone interact. energy: -0.950
local terms energy: -232.377302
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -66.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -772.653220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.653220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.653220 (E_RNA)
where:
Base-Base interactions energy: -538.576
where: short stacking energy: -233.621
Base-Backbone interact. energy: -1.269
local terms energy: -232.808870
where:
bonds (distance) C4'-P energy: -48.474
bonds (distance) P-C4' energy: -37.846
flat angles C4'-P-C4' energy: -52.767
flat angles P-C4'-P energy: -32.039
tors. eta vs tors. theta energy: -61.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -751.650548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.650548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.650548 (E_RNA)
where:
Base-Base interactions energy: -512.317
where: short stacking energy: -215.210
Base-Backbone interact. energy: 0.627
local terms energy: -239.960873
where:
bonds (distance) C4'-P energy: -50.231
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -52.276
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -61.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -498.667852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.667852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.667852 (E_RNA)
where:
Base-Base interactions energy: -292.324
where: short stacking energy: -142.727
Base-Backbone interact. energy: 0.235
local terms energy: -206.579151
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -56.641
flat angles C4'-P-C4' energy: -51.066
flat angles P-C4'-P energy: -34.354
tors. eta vs tors. theta energy: -32.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -233.390338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.390338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.390338 (E_RNA)
where:
Base-Base interactions energy: -96.946
where: short stacking energy: -72.640
Base-Backbone interact. energy: -2.308
local terms energy: -134.135971
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -46.461
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -913.382267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.382267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.382267 (E_RNA)
where:
Base-Base interactions energy: -641.887
where: short stacking energy: -275.315
Base-Backbone interact. energy: -1.097
local terms energy: -270.397936
where:
bonds (distance) C4'-P energy: -48.310
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -72.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -874.172459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.172459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.172459 (E_RNA)
where:
Base-Base interactions energy: -582.703
where: short stacking energy: -252.335
Base-Backbone interact. energy: -0.340
local terms energy: -291.128878
where:
bonds (distance) C4'-P energy: -57.449
bonds (distance) P-C4' energy: -54.801
flat angles C4'-P-C4' energy: -56.252
flat angles P-C4'-P energy: -47.082
tors. eta vs tors. theta energy: -75.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -864.162052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.162052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.162052 (E_RNA)
where:
Base-Base interactions energy: -604.550
where: short stacking energy: -246.527
Base-Backbone interact. energy: -0.979
local terms energy: -258.632813
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -48.407
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -34.777
tors. eta vs tors. theta energy: -70.529
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: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -849.078874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.078874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.078874 (E_RNA)
where:
Base-Base interactions energy: -583.810
where: short stacking energy: -234.660
Base-Backbone interact. energy: -2.395
local terms energy: -262.873506
where:
bonds (distance) C4'-P energy: -41.427
bonds (distance) P-C4' energy: -56.905
flat angles C4'-P-C4' energy: -55.143
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -72.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -813.232555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.232555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.232555 (E_RNA)
where:
Base-Base interactions energy: -558.656
where: short stacking energy: -247.926
Base-Backbone interact. energy: -0.796
local terms energy: -253.780220
where:
bonds (distance) C4'-P energy: -41.256
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -52.196
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -63.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -769.506364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.506364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.506364 (E_RNA)
where:
Base-Base interactions energy: -540.828
where: short stacking energy: -226.529
Base-Backbone interact. energy: -0.485
local terms energy: -228.192801
where:
bonds (distance) C4'-P energy: -47.270
bonds (distance) P-C4' energy: -51.759
flat angles C4'-P-C4' energy: -47.198
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -57.035
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: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -774.760717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.760717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.760717 (E_RNA)
where:
Base-Base interactions energy: -542.547
where: short stacking energy: -238.130
Base-Backbone interact. energy: 0.367
local terms energy: -232.580425
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -54.639
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -64.330
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: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -726.485360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.485360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.485360 (E_RNA)
where:
Base-Base interactions energy: -494.758
where: short stacking energy: -202.049
Base-Backbone interact. energy: -0.411
local terms energy: -231.316759
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -43.019
flat angles C4'-P-C4' energy: -54.818
flat angles P-C4'-P energy: -29.668
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: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -484.920385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.920385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.920385 (E_RNA)
where:
Base-Base interactions energy: -302.142
where: short stacking energy: -150.800
Base-Backbone interact. energy: -1.370
local terms energy: -181.408073
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -25.212
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: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -229.912410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.912410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.912410 (E_RNA)
where:
Base-Base interactions energy: -75.717
where: short stacking energy: -64.416
Base-Backbone interact. energy: 1.006
local terms energy: -155.201656
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -47.712
flat angles P-C4'-P energy: -30.751
tors. eta vs tors. theta energy: 9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -927.729686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.729686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.729686 (E_RNA)
where:
Base-Base interactions energy: -643.859
where: short stacking energy: -274.275
Base-Backbone interact. energy: 0.074
local terms energy: -283.944956
where:
bonds (distance) C4'-P energy: -49.057
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -64.175
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: -74.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -894.358104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.358104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.358104 (E_RNA)
where:
Base-Base interactions energy: -613.486
where: short stacking energy: -257.709
Base-Backbone interact. energy: -0.347
local terms energy: -280.525420
where:
bonds (distance) C4'-P energy: -50.142
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -60.116
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -71.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -834.181829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.181829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.181829 (E_RNA)
where:
Base-Base interactions energy: -565.184
where: short stacking energy: -242.760
Base-Backbone interact. energy: -1.100
local terms energy: -267.897887
where:
bonds (distance) C4'-P energy: -58.810
bonds (distance) P-C4' energy: -48.316
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -67.837
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: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -858.409873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.409873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.409873 (E_RNA)
where:
Base-Base interactions energy: -584.312
where: short stacking energy: -244.614
Base-Backbone interact. energy: -1.151
local terms energy: -272.947593
where:
bonds (distance) C4'-P energy: -46.836
bonds (distance) P-C4' energy: -60.513
flat angles C4'-P-C4' energy: -56.197
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: -69.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -815.312437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.312437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.312437 (E_RNA)
where:
Base-Base interactions energy: -546.656
where: short stacking energy: -252.002
Base-Backbone interact. energy: -0.153
local terms energy: -268.504071
where:
bonds (distance) C4'-P energy: -54.825
bonds (distance) P-C4' energy: -48.870
flat angles C4'-P-C4' energy: -54.938
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -70.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -774.419256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.419256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.419256 (E_RNA)
where:
Base-Base interactions energy: -535.189
where: short stacking energy: -234.015
Base-Backbone interact. energy: -0.724
local terms energy: -238.506065
where:
bonds (distance) C4'-P energy: -46.157
bonds (distance) P-C4' energy: -40.741
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -59.105
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: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -772.562770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.562770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.562770 (E_RNA)
where:
Base-Base interactions energy: -528.635
where: short stacking energy: -215.396
Base-Backbone interact. energy: -0.692
local terms energy: -243.236468
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -35.222
tors. eta vs tors. theta energy: -58.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -755.831121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.831121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.831121 (E_RNA)
where:
Base-Base interactions energy: -523.172
where: short stacking energy: -217.111
Base-Backbone interact. energy: -0.822
local terms energy: -231.836607
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -48.805
flat angles P-C4'-P energy: -38.843
tors. eta vs tors. theta energy: -66.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -502.664429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.664429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.664429 (E_RNA)
where:
Base-Base interactions energy: -297.840
where: short stacking energy: -156.674
Base-Backbone interact. energy: -0.617
local terms energy: -204.207782
where:
bonds (distance) C4'-P energy: -47.768
bonds (distance) P-C4' energy: -53.812
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -38.268
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: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -245.779473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.779473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.779473 (E_RNA)
where:
Base-Base interactions energy: -99.834
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.558
local terms energy: -145.387737
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -38.641
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -895.490669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.490669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.490669 (E_RNA)
where:
Base-Base interactions energy: -612.592
where: short stacking energy: -265.918
Base-Backbone interact. energy: -1.974
local terms energy: -280.924686
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -41.502
tors. eta vs tors. theta energy: -68.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -906.058346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.058346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.058346 (E_RNA)
where:
Base-Base interactions energy: -611.092
where: short stacking energy: -270.514
Base-Backbone interact. energy: -1.976
local terms energy: -292.990289
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -53.193
flat angles C4'-P-C4' energy: -60.423
flat angles P-C4'-P energy: -43.280
tors. eta vs tors. theta energy: -82.615
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: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -869.634702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.634702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.634702 (E_RNA)
where:
Base-Base interactions energy: -597.422
where: short stacking energy: -255.271
Base-Backbone interact. energy: -0.869
local terms energy: -271.344533
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -50.319
flat angles C4'-P-C4' energy: -55.049
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: -73.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -846.513679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.513679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.513679 (E_RNA)
where:
Base-Base interactions energy: -590.332
where: short stacking energy: -263.100
Base-Backbone interact. energy: -0.314
local terms energy: -255.867531
where:
bonds (distance) C4'-P energy: -47.461
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -55.346
flat angles P-C4'-P energy: -36.285
tors. eta vs tors. theta energy: -74.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -805.399210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.399210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.399210 (E_RNA)
where:
Base-Base interactions energy: -546.224
where: short stacking energy: -237.845
Base-Backbone interact. energy: -1.225
local terms energy: -257.950074
where:
bonds (distance) C4'-P energy: -44.329
bonds (distance) P-C4' energy: -47.206
flat angles C4'-P-C4' energy: -55.559
flat angles P-C4'-P energy: -38.943
tors. eta vs tors. theta energy: -71.914
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: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -803.915013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.915013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.915013 (E_RNA)
where:
Base-Base interactions energy: -557.693
where: short stacking energy: -230.836
Base-Backbone interact. energy: 0.055
local terms energy: -246.276280
where:
bonds (distance) C4'-P energy: -44.298
bonds (distance) P-C4' energy: -44.738
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -66.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -794.945398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.945398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.945398 (E_RNA)
where:
Base-Base interactions energy: -549.261
where: short stacking energy: -241.232
Base-Backbone interact. energy: 2.569
local terms energy: -248.253425
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -62.714
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -69.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -733.146100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.146100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.146100 (E_RNA)
where:
Base-Base interactions energy: -511.715
where: short stacking energy: -211.946
Base-Backbone interact. energy: -0.572
local terms energy: -220.858982
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -44.457
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -51.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -513.650920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.650920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.650920 (E_RNA)
where:
Base-Base interactions energy: -330.518
where: short stacking energy: -140.713
Base-Backbone interact. energy: 0.268
local terms energy: -183.400725
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -41.710
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -36.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -256.806949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.806949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.806949 (E_RNA)
where:
Base-Base interactions energy: -90.438
where: short stacking energy: -76.501
Base-Backbone interact. energy: 0.672
local terms energy: -167.040174
where:
bonds (distance) C4'-P energy: -47.583
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -48.258
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -3.606
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: 1, replica: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -906.759371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.759371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.759371 (E_RNA)
where:
Base-Base interactions energy: -623.959
where: short stacking energy: -269.815
Base-Backbone interact. energy: -1.021
local terms energy: -281.779426
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -49.732
flat angles C4'-P-C4' energy: -62.657
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -74.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -905.873827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.873827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.873827 (E_RNA)
where:
Base-Base interactions energy: -604.229
where: short stacking energy: -262.575
Base-Backbone interact. energy: -1.100
local terms energy: -300.544840
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -55.294
flat angles C4'-P-C4' energy: -63.626
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -81.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -863.503182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.503182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.503182 (E_RNA)
where:
Base-Base interactions energy: -580.423
where: short stacking energy: -253.779
Base-Backbone interact. energy: -0.409
local terms energy: -282.671420
where:
bonds (distance) C4'-P energy: -52.753
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -62.900
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -78.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -827.874006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.874006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.874006 (E_RNA)
where:
Base-Base interactions energy: -576.864
where: short stacking energy: -250.921
Base-Backbone interact. energy: -0.452
local terms energy: -250.558085
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -48.092
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -75.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -818.098994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.098994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.098994 (E_RNA)
where:
Base-Base interactions energy: -555.124
where: short stacking energy: -247.259
Base-Backbone interact. energy: -0.624
local terms energy: -262.350596
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -49.913
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -76.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -800.134846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.134846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.134846 (E_RNA)
where:
Base-Base interactions energy: -548.663
where: short stacking energy: -232.892
Base-Backbone interact. energy: -0.639
local terms energy: -250.833433
where:
bonds (distance) C4'-P energy: -38.381
bonds (distance) P-C4' energy: -52.946
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -33.124
tors. eta vs tors. theta energy: -72.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -795.260801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.260801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.260801 (E_RNA)
where:
Base-Base interactions energy: -542.498
where: short stacking energy: -206.076
Base-Backbone interact. energy: 1.658
local terms energy: -254.421268
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -51.051
flat angles P-C4'-P energy: -36.821
tors. eta vs tors. theta energy: -56.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -721.616043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.616043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.616043 (E_RNA)
where:
Base-Base interactions energy: -494.930
where: short stacking energy: -213.138
Base-Backbone interact. energy: -0.621
local terms energy: -226.065443
where:
bonds (distance) C4'-P energy: -35.922
bonds (distance) P-C4' energy: -49.431
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -51.845
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: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -582.541157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.541157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.541157 (E_RNA)
where:
Base-Base interactions energy: -366.282
where: short stacking energy: -183.604
Base-Backbone interact. energy: -0.907
local terms energy: -215.351246
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -40.433
flat angles C4'-P-C4' energy: -53.096
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -42.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -237.596801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.596801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.596801 (E_RNA)
where:
Base-Base interactions energy: -93.562
where: short stacking energy: -91.523
Base-Backbone interact. energy: -0.811
local terms energy: -143.224385
where:
bonds (distance) C4'-P energy: -37.572
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -43.270
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -18.648
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: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -927.351530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.351530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.351530 (E_RNA)
where:
Base-Base interactions energy: -633.968
where: short stacking energy: -280.649
Base-Backbone interact. energy: -1.117
local terms energy: -292.266020
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -57.908
flat angles C4'-P-C4' energy: -63.550
flat angles P-C4'-P energy: -39.835
tors. eta vs tors. theta energy: -82.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -860.586801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.586801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.586801 (E_RNA)
where:
Base-Base interactions energy: -586.076
where: short stacking energy: -255.299
Base-Backbone interact. energy: -0.849
local terms energy: -273.661838
where:
bonds (distance) C4'-P energy: -51.374
bonds (distance) P-C4' energy: -52.077
flat angles C4'-P-C4' energy: -57.403
flat angles P-C4'-P energy: -43.434
tors. eta vs tors. theta energy: -69.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -853.574527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.574527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.574527 (E_RNA)
where:
Base-Base interactions energy: -584.780
where: short stacking energy: -248.426
Base-Backbone interact. energy: -0.559
local terms energy: -268.236024
where:
bonds (distance) C4'-P energy: -49.245
bonds (distance) P-C4' energy: -47.191
flat angles C4'-P-C4' energy: -59.425
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -70.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -850.998328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.998328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.998328 (E_RNA)
where:
Base-Base interactions energy: -587.614
where: short stacking energy: -247.944
Base-Backbone interact. energy: -0.553
local terms energy: -262.831833
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -61.333
flat angles P-C4'-P energy: -42.702
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -821.241631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.241631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.241631 (E_RNA)
where:
Base-Base interactions energy: -570.399
where: short stacking energy: -250.338
Base-Backbone interact. energy: -2.291
local terms energy: -248.551658
where:
bonds (distance) C4'-P energy: -35.128
bonds (distance) P-C4' energy: -49.820
flat angles C4'-P-C4' energy: -50.862
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -67.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -795.929178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.929178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.929178 (E_RNA)
where:
Base-Base interactions energy: -544.103
where: short stacking energy: -233.967
Base-Backbone interact. energy: -1.325
local terms energy: -250.501554
where:
bonds (distance) C4'-P energy: -46.561
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -33.218
tors. eta vs tors. theta energy: -65.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -758.145738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.145738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.145738 (E_RNA)
where:
Base-Base interactions energy: -512.038
where: short stacking energy: -222.579
Base-Backbone interact. energy: -1.390
local terms energy: -244.717245
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -50.171
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -68.031
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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -756.233543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.233543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.233543 (E_RNA)
where:
Base-Base interactions energy: -533.653
where: short stacking energy: -222.310
Base-Backbone interact. energy: -0.594
local terms energy: -221.986241
where:
bonds (distance) C4'-P energy: -40.499
bonds (distance) P-C4' energy: -53.244
flat angles C4'-P-C4' energy: -46.345
flat angles P-C4'-P energy: -25.526
tors. eta vs tors. theta energy: -56.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -574.459913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.459913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.459913 (E_RNA)
where:
Base-Base interactions energy: -383.104
where: short stacking energy: -180.480
Base-Backbone interact. energy: 0.608
local terms energy: -191.964007
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -42.307
flat angles C4'-P-C4' energy: -45.487
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -37.428
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: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -207.085192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.085192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.085192 (E_RNA)
where:
Base-Base interactions energy: -83.266
where: short stacking energy: -67.917
Base-Backbone interact. energy: -1.594
local terms energy: -122.225283
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: 11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -958.739007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.739007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.739007 (E_RNA)
where:
Base-Base interactions energy: -655.703
where: short stacking energy: -285.057
Base-Backbone interact. energy: -1.194
local terms energy: -301.842070
where:
bonds (distance) C4'-P energy: -56.888
bonds (distance) P-C4' energy: -56.976
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -86.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -868.738189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.738189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.738189 (E_RNA)
where:
Base-Base interactions energy: -583.202
where: short stacking energy: -261.598
Base-Backbone interact. energy: -0.476
local terms energy: -285.059712
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -58.281
flat angles P-C4'-P energy: -44.215
tors. eta vs tors. theta energy: -73.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -865.496641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.496641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.496641 (E_RNA)
where:
Base-Base interactions energy: -601.471
where: short stacking energy: -252.681
Base-Backbone interact. energy: 1.039
local terms energy: -265.064964
where:
bonds (distance) C4'-P energy: -51.008
bonds (distance) P-C4' energy: -47.638
flat angles C4'-P-C4' energy: -57.691
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -71.531
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: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -861.562103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.562103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.562103 (E_RNA)
where:
Base-Base interactions energy: -600.798
where: short stacking energy: -262.108
Base-Backbone interact. energy: -1.088
local terms energy: -259.675315
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -41.591
flat angles C4'-P-C4' energy: -56.884
flat angles P-C4'-P energy: -40.772
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: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -815.844424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.844424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.844424 (E_RNA)
where:
Base-Base interactions energy: -567.188
where: short stacking energy: -240.455
Base-Backbone interact. energy: 1.168
local terms energy: -249.824589
where:
bonds (distance) C4'-P energy: -57.054
bonds (distance) P-C4' energy: -44.878
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -768.852507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.852507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.852507 (E_RNA)
where:
Base-Base interactions energy: -531.814
where: short stacking energy: -222.220
Base-Backbone interact. energy: 0.312
local terms energy: -237.350243
where:
bonds (distance) C4'-P energy: -47.157
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -55.890
flat angles P-C4'-P energy: -31.437
tors. eta vs tors. theta energy: -62.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -763.813445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.813445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.813445 (E_RNA)
where:
Base-Base interactions energy: -513.412
where: short stacking energy: -222.553
Base-Backbone interact. energy: -0.672
local terms energy: -249.729486
where:
bonds (distance) C4'-P energy: -38.620
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -45.791
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -70.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -733.227528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.227528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.227528 (E_RNA)
where:
Base-Base interactions energy: -516.340
where: short stacking energy: -209.457
Base-Backbone interact. energy: -0.781
local terms energy: -216.106659
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -56.342
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: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -579.420520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.420520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.420520 (E_RNA)
where:
Base-Base interactions energy: -378.523
where: short stacking energy: -182.383
Base-Backbone interact. energy: 5.493
local terms energy: -206.391443
where:
bonds (distance) C4'-P energy: -39.044
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -49.126
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -42.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -260.215237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.215237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.215237 (E_RNA)
where:
Base-Base interactions energy: -130.093
where: short stacking energy: -83.914
Base-Backbone interact. energy: 2.104
local terms energy: -132.226184
where:
bonds (distance) C4'-P energy: -42.478
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -936.476587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.476587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.476587 (E_RNA)
where:
Base-Base interactions energy: -636.488
where: short stacking energy: -283.528
Base-Backbone interact. energy: -0.327
local terms energy: -299.660657
where:
bonds (distance) C4'-P energy: -57.605
bonds (distance) P-C4' energy: -51.352
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -46.468
tors. eta vs tors. theta energy: -85.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -871.342984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.342984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.342984 (E_RNA)
where:
Base-Base interactions energy: -587.873
where: short stacking energy: -274.925
Base-Backbone interact. energy: -0.312
local terms energy: -283.158320
where:
bonds (distance) C4'-P energy: -51.330
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -61.490
flat angles P-C4'-P energy: -42.116
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: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -882.017071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.017071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.017071 (E_RNA)
where:
Base-Base interactions energy: -613.867
where: short stacking energy: -255.941
Base-Backbone interact. energy: -0.324
local terms energy: -267.826128
where:
bonds (distance) C4'-P energy: -51.907
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -57.315
flat angles P-C4'-P energy: -33.603
tors. eta vs tors. theta energy: -73.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -840.314468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.314468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.314468 (E_RNA)
where:
Base-Base interactions energy: -580.296
where: short stacking energy: -241.995
Base-Backbone interact. energy: -0.790
local terms energy: -259.228890
where:
bonds (distance) C4'-P energy: -50.469
bonds (distance) P-C4' energy: -47.278
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -67.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -790.520129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.520129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.520129 (E_RNA)
where:
Base-Base interactions energy: -538.259
where: short stacking energy: -219.317
Base-Backbone interact. energy: -0.922
local terms energy: -251.339421
where:
bonds (distance) C4'-P energy: -48.106
bonds (distance) P-C4' energy: -49.701
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -61.505
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: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -755.918984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.918984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.918984 (E_RNA)
where:
Base-Base interactions energy: -513.108
where: short stacking energy: -224.683
Base-Backbone interact. energy: -0.751
local terms energy: -242.060609
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -65.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -757.894542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.894542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.894542 (E_RNA)
where:
Base-Base interactions energy: -516.110
where: short stacking energy: -208.561
Base-Backbone interact. energy: 2.371
local terms energy: -244.156184
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -48.122
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: -61.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -751.657761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.657761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.657761 (E_RNA)
where:
Base-Base interactions energy: -521.339
where: short stacking energy: -210.043
Base-Backbone interact. energy: -0.999
local terms energy: -229.319938
where:
bonds (distance) C4'-P energy: -44.126
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -45.569
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: -58.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -580.571759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.571759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.571759 (E_RNA)
where:
Base-Base interactions energy: -376.521
where: short stacking energy: -187.430
Base-Backbone interact. energy: -0.303
local terms energy: -203.747658
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -48.661
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -43.856
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: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -296.228204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.228204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.228204 (E_RNA)
where:
Base-Base interactions energy: -150.582
where: short stacking energy: -109.633
Base-Backbone interact. energy: 4.184
local terms energy: -149.829588
where:
bonds (distance) C4'-P energy: -44.502
bonds (distance) P-C4' energy: -35.908
flat angles C4'-P-C4' energy: -42.503
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -951.196330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.196330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.196330 (E_RNA)
where:
Base-Base interactions energy: -645.942
where: short stacking energy: -282.790
Base-Backbone interact. energy: -0.508
local terms energy: -304.746018
where:
bonds (distance) C4'-P energy: -48.565
bonds (distance) P-C4' energy: -53.682
flat angles C4'-P-C4' energy: -67.132
flat angles P-C4'-P energy: -49.218
tors. eta vs tors. theta energy: -86.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -880.624276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.624276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.624276 (E_RNA)
where:
Base-Base interactions energy: -589.829
where: short stacking energy: -272.448
Base-Backbone interact. energy: 0.376
local terms energy: -291.171359
where:
bonds (distance) C4'-P energy: -57.907
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -75.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -863.431526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.431526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.431526 (E_RNA)
where:
Base-Base interactions energy: -594.873
where: short stacking energy: -239.038
Base-Backbone interact. energy: -0.351
local terms energy: -268.207534
where:
bonds (distance) C4'-P energy: -52.920
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: -65.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -852.856741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.856741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.856741 (E_RNA)
where:
Base-Base interactions energy: -591.444
where: short stacking energy: -251.926
Base-Backbone interact. energy: -0.623
local terms energy: -260.788830
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -49.688
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -75.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -798.085888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.085888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.085888 (E_RNA)
where:
Base-Base interactions energy: -537.793
where: short stacking energy: -234.336
Base-Backbone interact. energy: -1.139
local terms energy: -259.153575
where:
bonds (distance) C4'-P energy: -46.472
bonds (distance) P-C4' energy: -55.315
flat angles C4'-P-C4' energy: -51.288
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -61.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -752.178775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.178775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.178775 (E_RNA)
where:
Base-Base interactions energy: -535.716
where: short stacking energy: -209.317
Base-Backbone interact. energy: 1.183
local terms energy: -217.646275
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -52.255
flat angles C4'-P-C4' energy: -44.004
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -48.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -737.624707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.624707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.624707 (E_RNA)
where:
Base-Base interactions energy: -507.441
where: short stacking energy: -212.457
Base-Backbone interact. energy: -0.844
local terms energy: -229.339566
where:
bonds (distance) C4'-P energy: -47.294
bonds (distance) P-C4' energy: -43.305
flat angles C4'-P-C4' energy: -49.726
flat angles P-C4'-P energy: -37.537
tors. eta vs tors. theta energy: -51.477
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: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -729.019849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.019849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.019849 (E_RNA)
where:
Base-Base interactions energy: -499.736
where: short stacking energy: -211.774
Base-Backbone interact. energy: -1.719
local terms energy: -227.564965
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -41.654
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -31.191
tors. eta vs tors. theta energy: -62.200
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: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -604.307042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.307042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.307042 (E_RNA)
where:
Base-Base interactions energy: -381.051
where: short stacking energy: -173.100
Base-Backbone interact. energy: -1.104
local terms energy: -222.151603
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -47.993
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -45.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -311.112168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.112168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.112168 (E_RNA)
where:
Base-Base interactions energy: -156.670
where: short stacking energy: -93.030
Base-Backbone interact. energy: -0.490
local terms energy: -153.951936
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -54.875
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -961.493644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.493644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.493644 (E_RNA)
where:
Base-Base interactions energy: -651.005
where: short stacking energy: -288.533
Base-Backbone interact. energy: -0.839
local terms energy: -309.650534
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -89.036
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: 84
Temperature: 0.950000
Total energy: -864.273499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.273499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.273499 (E_RNA)
where:
Base-Base interactions energy: -590.555
where: short stacking energy: -263.824
Base-Backbone interact. energy: -1.644
local terms energy: -272.074171
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -55.022
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -70.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -854.322673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.322673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.322673 (E_RNA)
where:
Base-Base interactions energy: -579.879
where: short stacking energy: -255.615
Base-Backbone interact. energy: -1.180
local terms energy: -273.264024
where:
bonds (distance) C4'-P energy: -43.133
bonds (distance) P-C4' energy: -53.912
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -46.454
tors. eta vs tors. theta energy: -74.289
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: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -850.814203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.814203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.814203 (E_RNA)
where:
Base-Base interactions energy: -590.148
where: short stacking energy: -253.899
Base-Backbone interact. energy: 0.646
local terms energy: -261.312533
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -49.485
flat angles C4'-P-C4' energy: -59.591
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -76.518
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: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -805.226496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.226496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.226496 (E_RNA)
where:
Base-Base interactions energy: -551.365
where: short stacking energy: -250.292
Base-Backbone interact. energy: -1.667
local terms energy: -252.194032
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -57.190
flat angles P-C4'-P energy: -35.588
tors. eta vs tors. theta energy: -67.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -786.309082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.309082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.309082 (E_RNA)
where:
Base-Base interactions energy: -535.183
where: short stacking energy: -230.599
Base-Backbone interact. energy: -1.418
local terms energy: -249.708680
where:
bonds (distance) C4'-P energy: -35.187
bonds (distance) P-C4' energy: -59.513
flat angles C4'-P-C4' energy: -48.609
flat angles P-C4'-P energy: -40.144
tors. eta vs tors. theta energy: -66.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -708.566067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.566067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.566067 (E_RNA)
where:
Base-Base interactions energy: -498.348
where: short stacking energy: -209.679
Base-Backbone interact. energy: 0.937
local terms energy: -211.155861
where:
bonds (distance) C4'-P energy: -38.393
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -42.532
flat angles P-C4'-P energy: -29.821
tors. eta vs tors. theta energy: -54.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -693.087820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.087820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.087820 (E_RNA)
where:
Base-Base interactions energy: -499.940
where: short stacking energy: -203.061
Base-Backbone interact. energy: -0.545
local terms energy: -192.602514
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -58.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -597.128865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.128865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.128865 (E_RNA)
where:
Base-Base interactions energy: -393.117
where: short stacking energy: -186.733
Base-Backbone interact. energy: 3.897
local terms energy: -207.908780
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -36.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -332.335733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.335733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.335733 (E_RNA)
where:
Base-Base interactions energy: -155.969
where: short stacking energy: -92.226
Base-Backbone interact. energy: -0.590
local terms energy: -175.777644
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -45.702
flat angles P-C4'-P energy: -31.940
tors. eta vs tors. theta energy: -3.215
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: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -973.976466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.976466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.976466 (E_RNA)
where:
Base-Base interactions energy: -671.222
where: short stacking energy: -306.988
Base-Backbone interact. energy: -1.354
local terms energy: -301.400443
where:
bonds (distance) C4'-P energy: -48.066
bonds (distance) P-C4' energy: -59.781
flat angles C4'-P-C4' energy: -57.365
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -92.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -888.705450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.705450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.705450 (E_RNA)
where:
Base-Base interactions energy: -592.160
where: short stacking energy: -263.552
Base-Backbone interact. energy: -0.437
local terms energy: -296.108715
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -53.840
flat angles C4'-P-C4' energy: -66.475
flat angles P-C4'-P energy: -40.061
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: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -858.908101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.908101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.908101 (E_RNA)
where:
Base-Base interactions energy: -596.403
where: short stacking energy: -259.783
Base-Backbone interact. energy: -2.456
local terms energy: -260.048762
where:
bonds (distance) C4'-P energy: -37.683
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -55.336
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -78.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -841.362752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.362752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.362752 (E_RNA)
where:
Base-Base interactions energy: -573.324
where: short stacking energy: -249.044
Base-Backbone interact. energy: -0.180
local terms energy: -267.858443
where:
bonds (distance) C4'-P energy: -51.680
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -74.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -808.546873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.546873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.546873 (E_RNA)
where:
Base-Base interactions energy: -537.023
where: short stacking energy: -234.098
Base-Backbone interact. energy: -0.065
local terms energy: -271.458425
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -50.659
flat angles C4'-P-C4' energy: -62.378
flat angles P-C4'-P energy: -44.222
tors. eta vs tors. theta energy: -67.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -755.421382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.421382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.421382 (E_RNA)
where:
Base-Base interactions energy: -510.294
where: short stacking energy: -207.537
Base-Backbone interact. energy: -1.382
local terms energy: -243.745665
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -52.650
flat angles C4'-P-C4' energy: -64.420
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -55.450
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: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -749.570108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.570108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.570108 (E_RNA)
where:
Base-Base interactions energy: -527.471
where: short stacking energy: -211.598
Base-Backbone interact. energy: 3.140
local terms energy: -225.238435
where:
bonds (distance) C4'-P energy: -36.322
bonds (distance) P-C4' energy: -47.583
flat angles C4'-P-C4' energy: -46.461
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -61.908
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: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -691.858365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.858365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.858365 (E_RNA)
where:
Base-Base interactions energy: -466.002
where: short stacking energy: -208.364
Base-Backbone interact. energy: -1.234
local terms energy: -224.622499
where:
bonds (distance) C4'-P energy: -41.491
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -54.403
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -65.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -594.339344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.339344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.339344 (E_RNA)
where:
Base-Base interactions energy: -375.274
where: short stacking energy: -169.799
Base-Backbone interact. energy: -0.339
local terms energy: -218.726472
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -47.873
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -298.876210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.876210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.876210 (E_RNA)
where:
Base-Base interactions energy: -150.799
where: short stacking energy: -82.360
Base-Backbone interact. energy: 0.529
local terms energy: -148.606158
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -980.222621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.222621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.222621 (E_RNA)
where:
Base-Base interactions energy: -681.311
where: short stacking energy: -300.767
Base-Backbone interact. energy: -1.236
local terms energy: -297.675552
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -52.488
flat angles C4'-P-C4' energy: -66.419
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -91.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -893.968973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.968973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.968973 (E_RNA)
where:
Base-Base interactions energy: -617.642
where: short stacking energy: -280.035
Base-Backbone interact. energy: -1.065
local terms energy: -275.262118
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -75.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -853.870455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.870455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.870455 (E_RNA)
where:
Base-Base interactions energy: -579.258
where: short stacking energy: -236.275
Base-Backbone interact. energy: -0.537
local terms energy: -274.075144
where:
bonds (distance) C4'-P energy: -55.651
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -37.142
tors. eta vs tors. theta energy: -72.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -861.987952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.987952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.987952 (E_RNA)
where:
Base-Base interactions energy: -591.080
where: short stacking energy: -262.799
Base-Backbone interact. energy: -0.395
local terms energy: -270.512926
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -41.117
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -34.232
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: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -808.734103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.734103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.734103 (E_RNA)
where:
Base-Base interactions energy: -547.668
where: short stacking energy: -243.262
Base-Backbone interact. energy: -2.946
local terms energy: -258.120333
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -29.645
tors. eta vs tors. theta energy: -70.145
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: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -756.744096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.744096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.744096 (E_RNA)
where:
Base-Base interactions energy: -516.840
where: short stacking energy: -219.319
Base-Backbone interact. energy: -0.949
local terms energy: -238.955282
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -52.975
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -50.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -741.989789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.989789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.989789 (E_RNA)
where:
Base-Base interactions energy: -508.593
where: short stacking energy: -218.274
Base-Backbone interact. energy: -0.491
local terms energy: -232.906111
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -51.209
flat angles P-C4'-P energy: -27.588
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: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -720.095732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.095732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.095732 (E_RNA)
where:
Base-Base interactions energy: -493.736
where: short stacking energy: -199.703
Base-Backbone interact. energy: 0.840
local terms energy: -227.199828
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -51.805
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -58.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -613.523957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.523957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.523957 (E_RNA)
where:
Base-Base interactions energy: -389.624
where: short stacking energy: -178.535
Base-Backbone interact. energy: 0.659
local terms energy: -224.558586
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -49.487
flat angles P-C4'-P energy: -27.780
tors. eta vs tors. theta energy: -51.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -327.842128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.842128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.842128 (E_RNA)
where:
Base-Base interactions energy: -166.308
where: short stacking energy: -85.817
Base-Backbone interact. energy: -2.663
local terms energy: -158.871884
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -953.534090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.534090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.534090 (E_RNA)
where:
Base-Base interactions energy: -662.956
where: short stacking energy: -283.953
Base-Backbone interact. energy: -1.066
local terms energy: -289.512264
where:
bonds (distance) C4'-P energy: -43.677
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -61.826
flat angles P-C4'-P energy: -44.946
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: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -884.424996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.424996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.424996 (E_RNA)
where:
Base-Base interactions energy: -604.541
where: short stacking energy: -267.462
Base-Backbone interact. energy: -0.871
local terms energy: -279.012576
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -49.632
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -44.847
tors. eta vs tors. theta energy: -77.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -846.270608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.270608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.270608 (E_RNA)
where:
Base-Base interactions energy: -591.340
where: short stacking energy: -247.267
Base-Backbone interact. energy: -1.180
local terms energy: -253.750514
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -53.912
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -68.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -841.070265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.070265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.070265 (E_RNA)
where:
Base-Base interactions energy: -574.997
where: short stacking energy: -257.583
Base-Backbone interact. energy: -2.903
local terms energy: -263.170483
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -58.685
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -78.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -799.387582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.387582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.387582 (E_RNA)
where:
Base-Base interactions energy: -538.733
where: short stacking energy: -226.532
Base-Backbone interact. energy: -1.151
local terms energy: -259.503305
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -45.520
flat angles C4'-P-C4' energy: -59.858
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -62.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -773.550201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.550201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.550201 (E_RNA)
where:
Base-Base interactions energy: -533.511
where: short stacking energy: -209.319
Base-Backbone interact. energy: -1.599
local terms energy: -238.440878
where:
bonds (distance) C4'-P energy: -51.629
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -49.931
flat angles P-C4'-P energy: -36.042
tors. eta vs tors. theta energy: -60.892
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: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -744.170819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.170819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.170819 (E_RNA)
where:
Base-Base interactions energy: -516.176
where: short stacking energy: -215.395
Base-Backbone interact. energy: -0.139
local terms energy: -227.855703
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -37.500
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: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -628.191788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.191788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.191788 (E_RNA)
where:
Base-Base interactions energy: -392.846
where: short stacking energy: -180.944
Base-Backbone interact. energy: 0.916
local terms energy: -236.261388
where:
bonds (distance) C4'-P energy: -46.682
bonds (distance) P-C4' energy: -60.282
flat angles C4'-P-C4' energy: -45.422
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -47.268
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: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -698.953889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.953889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.953889 (E_RNA)
where:
Base-Base interactions energy: -487.154
where: short stacking energy: -193.352
Base-Backbone interact. energy: 0.347
local terms energy: -212.147083
where:
bonds (distance) C4'-P energy: -41.073
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -47.874
flat angles P-C4'-P energy: -36.790
tors. eta vs tors. theta energy: -47.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -300.707150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.707150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.707150 (E_RNA)
where:
Base-Base interactions energy: -153.514
where: short stacking energy: -80.065
Base-Backbone interact. energy: 4.769
local terms energy: -151.962015
where:
bonds (distance) C4'-P energy: -47.277
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -959.600693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.600693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.600693 (E_RNA)
where:
Base-Base interactions energy: -653.426
where: short stacking energy: -292.125
Base-Backbone interact. energy: -1.041
local terms energy: -305.133667
where:
bonds (distance) C4'-P energy: -52.502
bonds (distance) P-C4' energy: -63.622
flat angles C4'-P-C4' energy: -56.220
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: -88.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -893.434059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.434059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.434059 (E_RNA)
where:
Base-Base interactions energy: -598.022
where: short stacking energy: -263.130
Base-Backbone interact. energy: -1.075
local terms energy: -294.336532
where:
bonds (distance) C4'-P energy: -58.951
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -58.491
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -77.607
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: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -874.562857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.562857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.562857 (E_RNA)
where:
Base-Base interactions energy: -596.807
where: short stacking energy: -262.528
Base-Backbone interact. energy: -0.793
local terms energy: -276.963066
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -52.034
flat angles C4'-P-C4' energy: -56.492
flat angles P-C4'-P energy: -47.671
tors. eta vs tors. theta energy: -77.234
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: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -858.719325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.719325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.719325 (E_RNA)
where:
Base-Base interactions energy: -594.984
where: short stacking energy: -256.906
Base-Backbone interact. energy: -0.323
local terms energy: -263.412974
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -70.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -801.817453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.817453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.817453 (E_RNA)
where:
Base-Base interactions energy: -537.008
where: short stacking energy: -255.150
Base-Backbone interact. energy: 1.367
local terms energy: -266.176395
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -56.758
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -75.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -762.853597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.853597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.853597 (E_RNA)
where:
Base-Base interactions energy: -528.415
where: short stacking energy: -223.144
Base-Backbone interact. energy: -0.583
local terms energy: -233.855550
where:
bonds (distance) C4'-P energy: -43.149
bonds (distance) P-C4' energy: -41.623
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -33.471
tors. eta vs tors. theta energy: -62.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -761.967857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.967857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.967857 (E_RNA)
where:
Base-Base interactions energy: -540.041
where: short stacking energy: -208.472
Base-Backbone interact. energy: 0.088
local terms energy: -222.014543
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -44.500
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -59.089
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: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -611.931206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.931206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.931206 (E_RNA)
where:
Base-Base interactions energy: -396.021
where: short stacking energy: -190.160
Base-Backbone interact. energy: -1.346
local terms energy: -214.564182
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -57.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -688.394730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.394730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.394730 (E_RNA)
where:
Base-Base interactions energy: -488.082
where: short stacking energy: -201.102
Base-Backbone interact. energy: 0.808
local terms energy: -201.120920
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -49.948
flat angles C4'-P-C4' energy: -49.996
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -50.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -299.233278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.233278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.233278 (E_RNA)
where:
Base-Base interactions energy: -140.538
where: short stacking energy: -82.229
Base-Backbone interact. energy: 0.181
local terms energy: -158.876390
where:
bonds (distance) C4'-P energy: -38.278
bonds (distance) P-C4' energy: -54.290
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -30.698
tors. eta vs tors. theta energy: -0.478
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: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -952.169101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.169101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.169101 (E_RNA)
where:
Base-Base interactions energy: -655.882
where: short stacking energy: -295.203
Base-Backbone interact. energy: 1.222
local terms energy: -297.509641
where:
bonds (distance) C4'-P energy: -56.171
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -58.855
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -86.318
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: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -897.731029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.731029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.731029 (E_RNA)
where:
Base-Base interactions energy: -621.777
where: short stacking energy: -270.579
Base-Backbone interact. energy: -1.260
local terms energy: -274.693793
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -58.361
flat angles P-C4'-P energy: -42.171
tors. eta vs tors. theta energy: -80.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -848.685754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.685754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.685754 (E_RNA)
where:
Base-Base interactions energy: -586.547
where: short stacking energy: -238.567
Base-Backbone interact. energy: -1.382
local terms energy: -260.756636
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -53.183
flat angles C4'-P-C4' energy: -59.916
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -64.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -843.066109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.066109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.066109 (E_RNA)
where:
Base-Base interactions energy: -589.949
where: short stacking energy: -239.246
Base-Backbone interact. energy: -0.198
local terms energy: -252.919204
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -56.130
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -67.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -804.397278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.397278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.397278 (E_RNA)
where:
Base-Base interactions energy: -541.714
where: short stacking energy: -241.027
Base-Backbone interact. energy: -0.544
local terms energy: -262.138481
where:
bonds (distance) C4'-P energy: -52.752
bonds (distance) P-C4' energy: -42.479
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -71.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -798.150950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.150950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.150950 (E_RNA)
where:
Base-Base interactions energy: -531.606
where: short stacking energy: -226.878
Base-Backbone interact. energy: 1.940
local terms energy: -268.485304
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -48.816
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -41.389
tors. eta vs tors. theta energy: -67.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -760.805820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.805820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.805820 (E_RNA)
where:
Base-Base interactions energy: -506.968
where: short stacking energy: -209.701
Base-Backbone interact. energy: -2.469
local terms energy: -251.368411
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -49.123
flat angles C4'-P-C4' energy: -56.118
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -62.325
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: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -722.230143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.230143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.230143 (E_RNA)
where:
Base-Base interactions energy: -494.226
where: short stacking energy: -202.676
Base-Backbone interact. energy: 1.484
local terms energy: -229.487663
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -50.819
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -47.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -613.599323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.599323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.599323 (E_RNA)
where:
Base-Base interactions energy: -393.936
where: short stacking energy: -195.258
Base-Backbone interact. energy: -0.456
local terms energy: -219.207479
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -45.779
flat angles P-C4'-P energy: -31.450
tors. eta vs tors. theta energy: -58.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -297.291763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.291763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.291763 (E_RNA)
where:
Base-Base interactions energy: -142.165
where: short stacking energy: -71.146
Base-Backbone interact. energy: 0.161
local terms energy: -155.286924
where:
bonds (distance) C4'-P energy: -47.971
bonds (distance) P-C4' energy: -51.684
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -951.566892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.566892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.566892 (E_RNA)
where:
Base-Base interactions energy: -651.519
where: short stacking energy: -283.324
Base-Backbone interact. energy: -0.832
local terms energy: -299.215851
where:
bonds (distance) C4'-P energy: -52.892
bonds (distance) P-C4' energy: -52.930
flat angles C4'-P-C4' energy: -58.316
flat angles P-C4'-P energy: -45.401
tors. eta vs tors. theta energy: -89.676
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: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -925.221063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.221063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.221063 (E_RNA)
where:
Base-Base interactions energy: -638.772
where: short stacking energy: -276.127
Base-Backbone interact. energy: 2.015
local terms energy: -288.464687
where:
bonds (distance) C4'-P energy: -49.449
bonds (distance) P-C4' energy: -53.813
flat angles C4'-P-C4' energy: -54.171
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -84.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -875.673278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.673278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.673278 (E_RNA)
where:
Base-Base interactions energy: -606.392
where: short stacking energy: -251.615
Base-Backbone interact. energy: -0.413
local terms energy: -268.868223
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -32.568
tors. eta vs tors. theta energy: -70.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -821.379449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.379449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.379449 (E_RNA)
where:
Base-Base interactions energy: -559.834
where: short stacking energy: -233.601
Base-Backbone interact. energy: -1.636
local terms energy: -259.908955
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -49.482
flat angles C4'-P-C4' energy: -56.159
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -55.431
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: 90
Temperature: 1.100000
Total energy: -794.584317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.584317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.584317 (E_RNA)
where:
Base-Base interactions energy: -547.029
where: short stacking energy: -232.750
Base-Backbone interact. energy: -1.512
local terms energy: -246.044068
where:
bonds (distance) C4'-P energy: -48.855
bonds (distance) P-C4' energy: -48.714
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -61.194
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: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -824.086108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.086108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.086108 (E_RNA)
where:
Base-Base interactions energy: -571.912
where: short stacking energy: -248.376
Base-Backbone interact. energy: -0.799
local terms energy: -251.374430
where:
bonds (distance) C4'-P energy: -50.434
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -74.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -733.169571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.169571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.169571 (E_RNA)
where:
Base-Base interactions energy: -508.209
where: short stacking energy: -203.690
Base-Backbone interact. energy: -1.174
local terms energy: -223.786191
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -54.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -703.367020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.367020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.367020 (E_RNA)
where:
Base-Base interactions energy: -512.027
where: short stacking energy: -209.732
Base-Backbone interact. energy: -1.848
local terms energy: -189.491517
where:
bonds (distance) C4'-P energy: -36.055
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -50.333
flat angles P-C4'-P energy: -26.273
tors. eta vs tors. theta energy: -51.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -587.351460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.351460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.351460 (E_RNA)
where:
Base-Base interactions energy: -359.931
where: short stacking energy: -181.252
Base-Backbone interact. energy: 0.283
local terms energy: -227.703890
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -48.707
flat angles C4'-P-C4' energy: -47.273
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -52.339
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: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -301.856270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.856270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.856270 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -80.102
Base-Backbone interact. energy: -2.008
local terms energy: -156.256291
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -44.806
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -5.856
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: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -954.896501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.896501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.896501 (E_RNA)
where:
Base-Base interactions energy: -665.812
where: short stacking energy: -297.211
Base-Backbone interact. energy: -0.801
local terms energy: -288.284287
where:
bonds (distance) C4'-P energy: -44.070
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -58.226
flat angles P-C4'-P energy: -46.627
tors. eta vs tors. theta energy: -92.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -929.337607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.337607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.337607 (E_RNA)
where:
Base-Base interactions energy: -634.859
where: short stacking energy: -253.183
Base-Backbone interact. energy: -0.588
local terms energy: -293.890359
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -56.234
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -40.467
tors. eta vs tors. theta energy: -81.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -891.415116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.415116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.415116 (E_RNA)
where:
Base-Base interactions energy: -624.627
where: short stacking energy: -254.227
Base-Backbone interact. energy: 1.662
local terms energy: -268.449330
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -50.487
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -33.893
tors. eta vs tors. theta energy: -75.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -846.777375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.777375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.777375 (E_RNA)
where:
Base-Base interactions energy: -590.688
where: short stacking energy: -236.272
Base-Backbone interact. energy: -1.267
local terms energy: -254.823149
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -72.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -770.224639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.224639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.224639 (E_RNA)
where:
Base-Base interactions energy: -523.032
where: short stacking energy: -231.969
Base-Backbone interact. energy: -1.717
local terms energy: -245.476381
where:
bonds (distance) C4'-P energy: -43.220
bonds (distance) P-C4' energy: -53.100
flat angles C4'-P-C4' energy: -60.105
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -58.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -817.354019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.354019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.354019 (E_RNA)
where:
Base-Base interactions energy: -551.032
where: short stacking energy: -242.390
Base-Backbone interact. energy: -1.560
local terms energy: -264.761211
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -48.327
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -69.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -708.806191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.806191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.806191 (E_RNA)
where:
Base-Base interactions energy: -486.583
where: short stacking energy: -200.990
Base-Backbone interact. energy: -0.550
local terms energy: -221.673172
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -58.005
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -716.673132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.673132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.673132 (E_RNA)
where:
Base-Base interactions energy: -502.695
where: short stacking energy: -185.250
Base-Backbone interact. energy: -0.406
local terms energy: -213.572339
where:
bonds (distance) C4'-P energy: -37.495
bonds (distance) P-C4' energy: -50.380
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -54.527
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: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -598.284126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.284126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.284126 (E_RNA)
where:
Base-Base interactions energy: -387.596
where: short stacking energy: -163.996
Base-Backbone interact. energy: -0.937
local terms energy: -209.751362
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -49.449
flat angles P-C4'-P energy: -27.939
tors. eta vs tors. theta energy: -43.013
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: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -224.514734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.514734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.514734 (E_RNA)
where:
Base-Base interactions energy: -91.551
where: short stacking energy: -59.901
Base-Backbone interact. energy: -1.308
local terms energy: -131.656430
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -42.104
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: 7.042
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: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -963.124258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.124258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.124258 (E_RNA)
where:
Base-Base interactions energy: -665.480
where: short stacking energy: -299.046
Base-Backbone interact. energy: -0.791
local terms energy: -296.853858
where:
bonds (distance) C4'-P energy: -49.332
bonds (distance) P-C4' energy: -59.566
flat angles C4'-P-C4' energy: -62.037
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -88.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -914.917154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.917154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.917154 (E_RNA)
where:
Base-Base interactions energy: -644.597
where: short stacking energy: -269.775
Base-Backbone interact. energy: 3.017
local terms energy: -273.337824
where:
bonds (distance) C4'-P energy: -51.079
bonds (distance) P-C4' energy: -51.155
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -39.422
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: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -887.201138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.201138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.201138 (E_RNA)
where:
Base-Base interactions energy: -613.707
where: short stacking energy: -261.638
Base-Backbone interact. energy: -2.029
local terms energy: -271.464763
where:
bonds (distance) C4'-P energy: -47.168
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -58.851
flat angles P-C4'-P energy: -37.155
tors. eta vs tors. theta energy: -72.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -871.255810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.255810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.255810 (E_RNA)
where:
Base-Base interactions energy: -596.302
where: short stacking energy: -254.413
Base-Backbone interact. energy: -1.480
local terms energy: -273.473745
where:
bonds (distance) C4'-P energy: -52.862
bonds (distance) P-C4' energy: -44.659
flat angles C4'-P-C4' energy: -55.881
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -78.530
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: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -827.003040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.003040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.003040 (E_RNA)
where:
Base-Base interactions energy: -575.010
where: short stacking energy: -237.088
Base-Backbone interact. energy: -0.235
local terms energy: -251.758014
where:
bonds (distance) C4'-P energy: -44.492
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -50.854
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -64.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -764.539796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.539796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.539796 (E_RNA)
where:
Base-Base interactions energy: -524.347
where: short stacking energy: -213.467
Base-Backbone interact. energy: 0.682
local terms energy: -240.874677
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -51.633
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -40.006
tors. eta vs tors. theta energy: -54.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -753.026033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.026033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.026033 (E_RNA)
where:
Base-Base interactions energy: -502.394
where: short stacking energy: -211.025
Base-Backbone interact. energy: -0.570
local terms energy: -250.061787
where:
bonds (distance) C4'-P energy: -53.199
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -54.751
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -58.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -694.660677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.660677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.660677 (E_RNA)
where:
Base-Base interactions energy: -473.429
where: short stacking energy: -191.620
Base-Backbone interact. energy: -1.375
local terms energy: -219.857070
where:
bonds (distance) C4'-P energy: -50.069
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -50.734
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -48.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -567.791683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.791683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.791683 (E_RNA)
where:
Base-Base interactions energy: -345.607
where: short stacking energy: -166.237
Base-Backbone interact. energy: -1.300
local terms energy: -220.883919
where:
bonds (distance) C4'-P energy: -47.208
bonds (distance) P-C4' energy: -53.843
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -34.398
tors. eta vs tors. theta energy: -40.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -235.000159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.000159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.000159 (E_RNA)
where:
Base-Base interactions energy: -73.641
where: short stacking energy: -72.995
Base-Backbone interact. energy: 1.132
local terms energy: -162.490639
where:
bonds (distance) C4'-P energy: -39.164
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -45.789
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: 1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -959.040029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.040029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.040029 (E_RNA)
where:
Base-Base interactions energy: -658.793
where: short stacking energy: -299.474
Base-Backbone interact. energy: 0.203
local terms energy: -300.450005
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -57.862
flat angles C4'-P-C4' energy: -56.244
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -91.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -919.146870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.146870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.146870 (E_RNA)
where:
Base-Base interactions energy: -643.755
where: short stacking energy: -272.068
Base-Backbone interact. energy: -2.665
local terms energy: -272.726535
where:
bonds (distance) C4'-P energy: -44.933
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -63.472
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -85.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -882.224369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.224369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.224369 (E_RNA)
where:
Base-Base interactions energy: -604.138
where: short stacking energy: -255.652
Base-Backbone interact. energy: -1.159
local terms energy: -276.926885
where:
bonds (distance) C4'-P energy: -51.092
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -62.175
flat angles P-C4'-P energy: -42.874
tors. eta vs tors. theta energy: -67.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -863.564446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.564446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.564446 (E_RNA)
where:
Base-Base interactions energy: -606.500
where: short stacking energy: -269.284
Base-Backbone interact. energy: 0.778
local terms energy: -257.842544
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -73.903
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: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -802.228770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.228770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.228770 (E_RNA)
where:
Base-Base interactions energy: -552.438
where: short stacking energy: -220.274
Base-Backbone interact. energy: 2.043
local terms energy: -251.833405
where:
bonds (distance) C4'-P energy: -45.391
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -34.698
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: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -737.303177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.303177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.303177 (E_RNA)
where:
Base-Base interactions energy: -509.555
where: short stacking energy: -211.144
Base-Backbone interact. energy: -0.404
local terms energy: -227.344923
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -49.659
flat angles C4'-P-C4' energy: -45.953
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -56.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -715.048497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.048497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.048497 (E_RNA)
where:
Base-Base interactions energy: -498.522
where: short stacking energy: -205.930
Base-Backbone interact. energy: -0.327
local terms energy: -216.199342
where:
bonds (distance) C4'-P energy: -44.188
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -44.462
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: -48.725
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: 93
Temperature: 1.250000
Total energy: -713.099591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.099591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.099591 (E_RNA)
where:
Base-Base interactions energy: -490.624
where: short stacking energy: -206.724
Base-Backbone interact. energy: -0.138
local terms energy: -222.338059
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -42.653
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -58.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -547.715560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.715560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.715560 (E_RNA)
where:
Base-Base interactions energy: -357.103
where: short stacking energy: -154.679
Base-Backbone interact. energy: -1.034
local terms energy: -189.579549
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -47.456
flat angles P-C4'-P energy: -26.004
tors. eta vs tors. theta energy: -31.271
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: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -222.253504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.253504 (E_RNA)
where:
Base-Base interactions energy: -64.468
where: short stacking energy: -47.626
Base-Backbone interact. energy: -2.341
local terms energy: -155.444343
where:
bonds (distance) C4'-P energy: -47.365
bonds (distance) P-C4' energy: -45.419
flat angles C4'-P-C4' energy: -45.705
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: 8.113
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: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -959.894449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.894449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.894449 (E_RNA)
where:
Base-Base interactions energy: -670.297
where: short stacking energy: -288.153
Base-Backbone interact. energy: 0.195
local terms energy: -289.793012
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -52.134
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -39.296
tors. eta vs tors. theta energy: -86.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -920.342139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.342139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.342139 (E_RNA)
where:
Base-Base interactions energy: -647.927
where: short stacking energy: -284.263
Base-Backbone interact. energy: -0.847
local terms energy: -271.568798
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -54.178
flat angles C4'-P-C4' energy: -57.832
flat angles P-C4'-P energy: -37.470
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: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -882.110116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.110116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.110116 (E_RNA)
where:
Base-Base interactions energy: -621.934
where: short stacking energy: -275.308
Base-Backbone interact. energy: -0.582
local terms energy: -259.593946
where:
bonds (distance) C4'-P energy: -44.926
bonds (distance) P-C4' energy: -43.184
flat angles C4'-P-C4' energy: -52.321
flat angles P-C4'-P energy: -42.880
tors. eta vs tors. theta energy: -76.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -877.984649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.984649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.984649 (E_RNA)
where:
Base-Base interactions energy: -605.523
where: short stacking energy: -245.461
Base-Backbone interact. energy: 1.149
local terms energy: -273.610487
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -56.477
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -72.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -812.099903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.099903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.099903 (E_RNA)
where:
Base-Base interactions energy: -562.110
where: short stacking energy: -239.743
Base-Backbone interact. energy: 1.199
local terms energy: -251.188681
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -45.148
flat angles C4'-P-C4' energy: -51.816
flat angles P-C4'-P energy: -37.468
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: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -758.373230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.373230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.373230 (E_RNA)
where:
Base-Base interactions energy: -534.867
where: short stacking energy: -223.602
Base-Backbone interact. energy: 5.533
local terms energy: -229.039151
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -55.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -727.765564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.765564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.765564 (E_RNA)
where:
Base-Base interactions energy: -503.653
where: short stacking energy: -209.098
Base-Backbone interact. energy: -0.288
local terms energy: -223.823765
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -44.907
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -57.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -686.093734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.093734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.093734 (E_RNA)
where:
Base-Base interactions energy: -481.863
where: short stacking energy: -181.843
Base-Backbone interact. energy: -1.043
local terms energy: -203.187326
where:
bonds (distance) C4'-P energy: -40.410
bonds (distance) P-C4' energy: -41.955
flat angles C4'-P-C4' energy: -51.010
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -39.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -569.265777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.265777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.265777 (E_RNA)
where:
Base-Base interactions energy: -361.415
where: short stacking energy: -158.540
Base-Backbone interact. energy: 1.049
local terms energy: -208.900764
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -50.254
flat angles C4'-P-C4' energy: -48.836
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -37.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -223.341031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.341031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.341031 (E_RNA)
where:
Base-Base interactions energy: -62.097
where: short stacking energy: -48.965
Base-Backbone interact. energy: -1.070
local terms energy: -160.173739
where:
bonds (distance) C4'-P energy: -45.016
bonds (distance) P-C4' energy: -58.284
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -32.226
tors. eta vs tors. theta energy: 10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -964.475774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.475774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.475774 (E_RNA)
where:
Base-Base interactions energy: -655.465
where: short stacking energy: -293.017
Base-Backbone interact. energy: -1.501
local terms energy: -307.510005
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -59.368
flat angles C4'-P-C4' energy: -61.734
flat angles P-C4'-P energy: -43.911
tors. eta vs tors. theta energy: -88.892
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: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -920.169629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.169629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.169629 (E_RNA)
where:
Base-Base interactions energy: -644.971
where: short stacking energy: -284.937
Base-Backbone interact. energy: -0.234
local terms energy: -274.963988
where:
bonds (distance) C4'-P energy: -40.961
bonds (distance) P-C4' energy: -52.452
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -80.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -877.376567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.376567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.376567 (E_RNA)
where:
Base-Base interactions energy: -615.601
where: short stacking energy: -250.113
Base-Backbone interact. energy: -0.693
local terms energy: -261.082448
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -51.565
flat angles P-C4'-P energy: -41.515
tors. eta vs tors. theta energy: -67.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -845.369516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.369516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.369516 (E_RNA)
where:
Base-Base interactions energy: -586.623
where: short stacking energy: -239.964
Base-Backbone interact. energy: -2.224
local terms energy: -256.521865
where:
bonds (distance) C4'-P energy: -44.617
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -64.293
flat angles P-C4'-P energy: -34.761
tors. eta vs tors. theta energy: -63.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -821.382537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.382537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.382537 (E_RNA)
where:
Base-Base interactions energy: -561.987
where: short stacking energy: -244.180
Base-Backbone interact. energy: -2.107
local terms energy: -257.288675
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -32.929
tors. eta vs tors. theta energy: -70.552
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: 6, replica: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -753.865926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.865926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.865926 (E_RNA)
where:
Base-Base interactions energy: -509.849
where: short stacking energy: -223.948
Base-Backbone interact. energy: -1.746
local terms energy: -242.271491
where:
bonds (distance) C4'-P energy: -44.783
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -35.807
tors. eta vs tors. theta energy: -65.812
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -725.480401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.480401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.480401 (E_RNA)
where:
Base-Base interactions energy: -505.601
where: short stacking energy: -216.750
Base-Backbone interact. energy: -0.538
local terms energy: -219.340868
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -47.588
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -30.866
tors. eta vs tors. theta energy: -50.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -699.101828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.101828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.101828 (E_RNA)
where:
Base-Base interactions energy: -490.485
where: short stacking energy: -201.809
Base-Backbone interact. energy: -2.073
local terms energy: -206.542880
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: -47.845
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: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -628.203795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.203795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.203795 (E_RNA)
where:
Base-Base interactions energy: -421.812
where: short stacking energy: -209.111
Base-Backbone interact. energy: -0.408
local terms energy: -205.983865
where:
bonds (distance) C4'-P energy: -46.276
bonds (distance) P-C4' energy: -41.362
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -47.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -247.185099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.185099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.185099 (E_RNA)
where:
Base-Base interactions energy: -107.999
where: short stacking energy: -78.546
Base-Backbone interact. energy: 2.130
local terms energy: -141.316353
where:
bonds (distance) C4'-P energy: -43.803
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: 1.043
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: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -971.916543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.916543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.916543 (E_RNA)
where:
Base-Base interactions energy: -672.516
where: short stacking energy: -284.495
Base-Backbone interact. energy: -0.713
local terms energy: -298.687964
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -57.340
flat angles C4'-P-C4' energy: -60.823
flat angles P-C4'-P energy: -40.171
tors. eta vs tors. theta energy: -85.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -925.016389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.016389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.016389 (E_RNA)
where:
Base-Base interactions energy: -636.558
where: short stacking energy: -268.324
Base-Backbone interact. energy: -1.217
local terms energy: -287.241783
where:
bonds (distance) C4'-P energy: -56.111
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -60.653
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -83.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -890.439189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.439189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.439189 (E_RNA)
where:
Base-Base interactions energy: -611.733
where: short stacking energy: -262.208
Base-Backbone interact. energy: -1.166
local terms energy: -277.540373
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -78.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -818.670237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.670237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.670237 (E_RNA)
where:
Base-Base interactions energy: -560.210
where: short stacking energy: -238.106
Base-Backbone interact. energy: -0.958
local terms energy: -257.501924
where:
bonds (distance) C4'-P energy: -54.038
bonds (distance) P-C4' energy: -49.908
flat angles C4'-P-C4' energy: -60.339
flat angles P-C4'-P energy: -34.099
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: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -818.771168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.771168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.771168 (E_RNA)
where:
Base-Base interactions energy: -554.968
where: short stacking energy: -237.090
Base-Backbone interact. energy: -0.738
local terms energy: -263.065327
where:
bonds (distance) C4'-P energy: -49.720
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -39.597
tors. eta vs tors. theta energy: -65.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -774.975880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.975880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.975880 (E_RNA)
where:
Base-Base interactions energy: -515.670
where: short stacking energy: -221.341
Base-Backbone interact. energy: -0.242
local terms energy: -259.064724
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -53.173
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -59.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -753.167244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.167244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.167244 (E_RNA)
where:
Base-Base interactions energy: -520.949
where: short stacking energy: -223.479
Base-Backbone interact. energy: -0.368
local terms energy: -231.850260
where:
bonds (distance) C4'-P energy: -42.694
bonds (distance) P-C4' energy: -55.525
flat angles C4'-P-C4' energy: -45.405
flat angles P-C4'-P energy: -33.561
tors. eta vs tors. theta energy: -54.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -702.046399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.046399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.046399 (E_RNA)
where:
Base-Base interactions energy: -466.895
where: short stacking energy: -176.383
Base-Backbone interact. energy: -0.764
local terms energy: -234.387397
where:
bonds (distance) C4'-P energy: -40.662
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -45.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -572.490205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.490205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.490205 (E_RNA)
where:
Base-Base interactions energy: -358.954
where: short stacking energy: -177.907
Base-Backbone interact. energy: -0.510
local terms energy: -213.026128
where:
bonds (distance) C4'-P energy: -44.850
bonds (distance) P-C4' energy: -43.962
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -43.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -236.302957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.302957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.302957 (E_RNA)
where:
Base-Base interactions energy: -87.587
where: short stacking energy: -78.148
Base-Backbone interact. energy: 0.055
local terms energy: -148.771022
where:
bonds (distance) C4'-P energy: -51.482
bonds (distance) P-C4' energy: -45.521
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: 7.842
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: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -938.525411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.525411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.525411 (E_RNA)
where:
Base-Base interactions energy: -638.574
where: short stacking energy: -277.313
Base-Backbone interact. energy: 0.310
local terms energy: -300.261701
where:
bonds (distance) C4'-P energy: -47.775
bonds (distance) P-C4' energy: -62.001
flat angles C4'-P-C4' energy: -59.778
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -84.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -929.897469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.897469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.897469 (E_RNA)
where:
Base-Base interactions energy: -649.120
where: short stacking energy: -252.206
Base-Backbone interact. energy: -1.873
local terms energy: -278.904599
where:
bonds (distance) C4'-P energy: -51.103
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -73.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -860.797741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.797741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.797741 (E_RNA)
where:
Base-Base interactions energy: -601.127
where: short stacking energy: -249.266
Base-Backbone interact. energy: -0.478
local terms energy: -259.193310
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -68.057
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -842.709807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.709807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.709807 (E_RNA)
where:
Base-Base interactions energy: -583.025
where: short stacking energy: -241.302
Base-Backbone interact. energy: -0.301
local terms energy: -259.384575
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -48.247
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -73.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -809.917573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.917573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.917573 (E_RNA)
where:
Base-Base interactions energy: -547.966
where: short stacking energy: -232.092
Base-Backbone interact. energy: -1.261
local terms energy: -260.690210
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -61.088
flat angles C4'-P-C4' energy: -49.432
flat angles P-C4'-P energy: -35.625
tors. eta vs tors. theta energy: -61.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -763.431812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.431812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.431812 (E_RNA)
where:
Base-Base interactions energy: -515.107
where: short stacking energy: -217.493
Base-Backbone interact. energy: 0.102
local terms energy: -248.427633
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -41.585
flat angles C4'-P-C4' energy: -54.352
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: -62.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -799.616002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.616002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.616002 (E_RNA)
where:
Base-Base interactions energy: -551.605
where: short stacking energy: -254.513
Base-Backbone interact. energy: -0.472
local terms energy: -247.539562
where:
bonds (distance) C4'-P energy: -47.350
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -54.980
flat angles P-C4'-P energy: -36.500
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: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -701.073950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.073950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.073950 (E_RNA)
where:
Base-Base interactions energy: -484.144
where: short stacking energy: -186.696
Base-Backbone interact. energy: -0.824
local terms energy: -216.105731
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -50.299
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -568.622618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.622618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.622618 (E_RNA)
where:
Base-Base interactions energy: -356.598
where: short stacking energy: -159.650
Base-Backbone interact. energy: -2.127
local terms energy: -209.897783
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -54.364
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -214.366390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.366390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.366390 (E_RNA)
where:
Base-Base interactions energy: -68.937
where: short stacking energy: -62.613
Base-Backbone interact. energy: 0.092
local terms energy: -145.520816
where:
bonds (distance) C4'-P energy: -45.788
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -41.751
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: 13.393
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: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -959.641292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.641292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.641292 (E_RNA)
where:
Base-Base interactions energy: -670.305
where: short stacking energy: -288.892
Base-Backbone interact. energy: 0.557
local terms energy: -289.893538
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -43.777
flat angles C4'-P-C4' energy: -62.784
flat angles P-C4'-P energy: -45.405
tors. eta vs tors. theta energy: -85.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -937.881204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.881204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.881204 (E_RNA)
where:
Base-Base interactions energy: -624.364
where: short stacking energy: -249.612
Base-Backbone interact. energy: -1.536
local terms energy: -311.980874
where:
bonds (distance) C4'-P energy: -61.447
bonds (distance) P-C4' energy: -52.492
flat angles C4'-P-C4' energy: -69.080
flat angles P-C4'-P energy: -46.025
tors. eta vs tors. theta energy: -82.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -877.988575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.988575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.988575 (E_RNA)
where:
Base-Base interactions energy: -597.713
where: short stacking energy: -261.183
Base-Backbone interact. energy: -0.685
local terms energy: -279.590622
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -54.671
flat angles C4'-P-C4' energy: -65.489
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -72.440
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: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -849.346970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.346970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.346970 (E_RNA)
where:
Base-Base interactions energy: -578.458
where: short stacking energy: -252.887
Base-Backbone interact. energy: -0.499
local terms energy: -270.389651
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -71.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -821.818622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.818622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.818622 (E_RNA)
where:
Base-Base interactions energy: -571.868
where: short stacking energy: -240.738
Base-Backbone interact. energy: -0.629
local terms energy: -249.321726
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -61.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -766.137430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.137430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.137430 (E_RNA)
where:
Base-Base interactions energy: -527.879
where: short stacking energy: -231.106
Base-Backbone interact. energy: -0.862
local terms energy: -237.396531
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -42.851
flat angles C4'-P-C4' energy: -52.836
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -64.353
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: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -787.654322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.654322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.654322 (E_RNA)
where:
Base-Base interactions energy: -537.602
where: short stacking energy: -224.171
Base-Backbone interact. energy: -0.428
local terms energy: -249.624130
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -52.419
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -65.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -724.809322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.809322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.809322 (E_RNA)
where:
Base-Base interactions energy: -498.866
where: short stacking energy: -208.912
Base-Backbone interact. energy: 1.120
local terms energy: -227.063470
where:
bonds (distance) C4'-P energy: -33.907
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -53.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -563.156668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.156668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.156668 (E_RNA)
where:
Base-Base interactions energy: -349.837
where: short stacking energy: -175.284
Base-Backbone interact. energy: -0.645
local terms energy: -212.675547
where:
bonds (distance) C4'-P energy: -44.208
bonds (distance) P-C4' energy: -51.691
flat angles C4'-P-C4' energy: -37.517
flat angles P-C4'-P energy: -33.454
tors. eta vs tors. theta energy: -45.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -222.631806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.631806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.631806 (E_RNA)
where:
Base-Base interactions energy: -66.019
where: short stacking energy: -56.364
Base-Backbone interact. energy: 2.027
local terms energy: -158.639792
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: 2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -940.114915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.114915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.114915 (E_RNA)
where:
Base-Base interactions energy: -641.430
where: short stacking energy: -276.727
Base-Backbone interact. energy: -0.692
local terms energy: -297.992821
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -58.022
flat angles C4'-P-C4' energy: -58.716
flat angles P-C4'-P energy: -45.739
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -903.794119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.794119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.794119 (E_RNA)
where:
Base-Base interactions energy: -611.547
where: short stacking energy: -256.879
Base-Backbone interact. energy: -0.111
local terms energy: -292.135892
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -64.709
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -75.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -901.821077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.821077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.821077 (E_RNA)
where:
Base-Base interactions energy: -623.157
where: short stacking energy: -250.979
Base-Backbone interact. energy: -1.108
local terms energy: -277.556564
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -54.589
flat angles C4'-P-C4' energy: -62.091
flat angles P-C4'-P energy: -42.397
tors. eta vs tors. theta energy: -70.880
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: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -872.885546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.885546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.885546 (E_RNA)
where:
Base-Base interactions energy: -589.378
where: short stacking energy: -241.268
Base-Backbone interact. energy: -0.334
local terms energy: -283.174359
where:
bonds (distance) C4'-P energy: -52.819
bonds (distance) P-C4' energy: -55.237
flat angles C4'-P-C4' energy: -57.859
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -73.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -774.010265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.010265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.010265 (E_RNA)
where:
Base-Base interactions energy: -533.134
where: short stacking energy: -212.971
Base-Backbone interact. energy: 1.245
local terms energy: -242.121480
where:
bonds (distance) C4'-P energy: -48.702
bonds (distance) P-C4' energy: -50.964
flat angles C4'-P-C4' energy: -50.087
flat angles P-C4'-P energy: -37.011
tors. eta vs tors. theta energy: -55.356
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: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -795.871163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.871163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.871163 (E_RNA)
where:
Base-Base interactions energy: -564.073
where: short stacking energy: -226.995
Base-Backbone interact. energy: -0.636
local terms energy: -231.162822
where:
bonds (distance) C4'-P energy: -44.083
bonds (distance) P-C4' energy: -41.865
flat angles C4'-P-C4' energy: -51.214
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -66.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -748.141951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.141951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.141951 (E_RNA)
where:
Base-Base interactions energy: -480.679
where: short stacking energy: -216.229
Base-Backbone interact. energy: -0.312
local terms energy: -267.151617
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -57.461
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -37.572
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: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -579.368100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.368100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.368100 (E_RNA)
where:
Base-Base interactions energy: -366.389
where: short stacking energy: -169.154
Base-Backbone interact. energy: -0.416
local terms energy: -212.563655
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -42.825
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -49.741
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: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -661.256005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.256005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.256005 (E_RNA)
where:
Base-Base interactions energy: -438.296
where: short stacking energy: -175.659
Base-Backbone interact. energy: 1.570
local terms energy: -224.529590
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -48.581
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -55.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -218.854863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854863 (E_RNA)
where:
Base-Base interactions energy: -74.774
where: short stacking energy: -66.980
Base-Backbone interact. energy: -1.541
local terms energy: -142.540567
where:
bonds (distance) C4'-P energy: -37.674
bonds (distance) P-C4' energy: -50.052
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: 10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -954.249982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.249982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.249982 (E_RNA)
where:
Base-Base interactions energy: -647.700
where: short stacking energy: -275.401
Base-Backbone interact. energy: -1.204
local terms energy: -305.346166
where:
bonds (distance) C4'-P energy: -57.778
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -60.150
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -84.244
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: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -904.444614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.444614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.444614 (E_RNA)
where:
Base-Base interactions energy: -631.171
where: short stacking energy: -264.562
Base-Backbone interact. energy: -0.153
local terms energy: -273.120186
where:
bonds (distance) C4'-P energy: -51.294
bonds (distance) P-C4' energy: -55.870
flat angles C4'-P-C4' energy: -58.114
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -74.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -920.956452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.956452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.956452 (E_RNA)
where:
Base-Base interactions energy: -645.599
where: short stacking energy: -262.897
Base-Backbone interact. energy: -1.542
local terms energy: -273.815461
where:
bonds (distance) C4'-P energy: -45.773
bonds (distance) P-C4' energy: -48.041
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -41.551
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: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -856.557585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.557585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.557585 (E_RNA)
where:
Base-Base interactions energy: -584.515
where: short stacking energy: -259.018
Base-Backbone interact. energy: -0.575
local terms energy: -271.468405
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -58.073
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -77.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -817.537551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.537551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.537551 (E_RNA)
where:
Base-Base interactions energy: -534.351
where: short stacking energy: -243.076
Base-Backbone interact. energy: -0.128
local terms energy: -283.059169
where:
bonds (distance) C4'-P energy: -50.331
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -63.110
flat angles P-C4'-P energy: -47.487
tors. eta vs tors. theta energy: -71.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -765.228100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.228100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.228100 (E_RNA)
where:
Base-Base interactions energy: -531.286
where: short stacking energy: -212.387
Base-Backbone interact. energy: 2.188
local terms energy: -236.130232
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -39.146
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -54.114
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: 100
Temperature: 1.200000
Total energy: -771.582996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.582996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.582996 (E_RNA)
where:
Base-Base interactions energy: -512.419
where: short stacking energy: -220.185
Base-Backbone interact. energy: -1.034
local terms energy: -258.130107
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -71.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -545.405849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.405849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.405849 (E_RNA)
where:
Base-Base interactions energy: -339.618
where: short stacking energy: -168.545
Base-Backbone interact. energy: 0.316
local terms energy: -206.103890
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -41.573
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -34.903
tors. eta vs tors. theta energy: -48.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -666.402679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.402679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.402679 (E_RNA)
where:
Base-Base interactions energy: -451.034
where: short stacking energy: -185.914
Base-Backbone interact. energy: -0.870
local terms energy: -214.498933
where:
bonds (distance) C4'-P energy: -38.357
bonds (distance) P-C4' energy: -43.821
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -254.979288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.979288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.979288 (E_RNA)
where:
Base-Base interactions energy: -104.004
where: short stacking energy: -73.639
Base-Backbone interact. energy: 0.670
local terms energy: -151.644949
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -48.938
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -959.329281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.329281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.329281 (E_RNA)
where:
Base-Base interactions energy: -660.542
where: short stacking energy: -280.456
Base-Backbone interact. energy: -1.524
local terms energy: -297.263572
where:
bonds (distance) C4'-P energy: -59.039
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -64.990
flat angles P-C4'-P energy: -35.009
tors. eta vs tors. theta energy: -83.799
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: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -936.821597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.821597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.821597 (E_RNA)
where:
Base-Base interactions energy: -648.476
where: short stacking energy: -270.587
Base-Backbone interact. energy: 2.021
local terms energy: -290.366603
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -50.722
flat angles C4'-P-C4' energy: -66.020
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -86.892
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: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -861.918086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.918086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.918086 (E_RNA)
where:
Base-Base interactions energy: -588.714
where: short stacking energy: -246.086
Base-Backbone interact. energy: -0.531
local terms energy: -272.673182
where:
bonds (distance) C4'-P energy: -42.384
bonds (distance) P-C4' energy: -56.840
flat angles C4'-P-C4' energy: -57.582
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -77.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -813.242544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.242544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.242544 (E_RNA)
where:
Base-Base interactions energy: -562.670
where: short stacking energy: -246.359
Base-Backbone interact. energy: 1.820
local terms energy: -252.392972
where:
bonds (distance) C4'-P energy: -46.570
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -66.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -824.803670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.803670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.803670 (E_RNA)
where:
Base-Base interactions energy: -562.818
where: short stacking energy: -241.167
Base-Backbone interact. energy: -0.685
local terms energy: -261.301281
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -50.122
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -68.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -782.239678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.239678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.239678 (E_RNA)
where:
Base-Base interactions energy: -542.917
where: short stacking energy: -230.402
Base-Backbone interact. energy: -1.188
local terms energy: -238.135176
where:
bonds (distance) C4'-P energy: -33.329
bonds (distance) P-C4' energy: -49.895
flat angles C4'-P-C4' energy: -46.368
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -71.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -721.291733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.291733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.291733 (E_RNA)
where:
Base-Base interactions energy: -512.800
where: short stacking energy: -200.635
Base-Backbone interact. energy: -0.842
local terms energy: -207.650135
where:
bonds (distance) C4'-P energy: -41.333
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -47.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -700.415848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.415848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.415848 (E_RNA)
where:
Base-Base interactions energy: -464.595
where: short stacking energy: -177.083
Base-Backbone interact. energy: -1.088
local terms energy: -234.733017
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -33.593
tors. eta vs tors. theta energy: -49.699
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: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -545.576620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.576620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.576620 (E_RNA)
where:
Base-Base interactions energy: -343.906
where: short stacking energy: -154.486
Base-Backbone interact. energy: -1.543
local terms energy: -200.127367
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -50.465
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -228.952294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.952294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.952294 (E_RNA)
where:
Base-Base interactions energy: -92.460
where: short stacking energy: -83.511
Base-Backbone interact. energy: -1.814
local terms energy: -134.677559
where:
bonds (distance) C4'-P energy: -37.681
bonds (distance) P-C4' energy: -43.222
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -975.605322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.605322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.605322 (E_RNA)
where:
Base-Base interactions energy: -673.619
where: short stacking energy: -287.477
Base-Backbone interact. energy: -2.261
local terms energy: -299.725665
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -81.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -926.111241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.111241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.111241 (E_RNA)
where:
Base-Base interactions energy: -633.127
where: short stacking energy: -266.118
Base-Backbone interact. energy: 0.029
local terms energy: -293.013839
where:
bonds (distance) C4'-P energy: -56.374
bonds (distance) P-C4' energy: -56.565
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -78.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -872.808496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.808496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.808496 (E_RNA)
where:
Base-Base interactions energy: -596.457
where: short stacking energy: -248.274
Base-Backbone interact. energy: -1.828
local terms energy: -274.523591
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -53.160
flat angles C4'-P-C4' energy: -53.927
flat angles P-C4'-P energy: -43.112
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -863.326727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.326727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.326727 (E_RNA)
where:
Base-Base interactions energy: -584.857
where: short stacking energy: -266.625
Base-Backbone interact. energy: -1.207
local terms energy: -277.263119
where:
bonds (distance) C4'-P energy: -45.756
bonds (distance) P-C4' energy: -56.001
flat angles C4'-P-C4' energy: -60.509
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -78.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -858.916782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.916782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.916782 (E_RNA)
where:
Base-Base interactions energy: -600.317
where: short stacking energy: -242.193
Base-Backbone interact. energy: -1.044
local terms energy: -257.555748
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -47.967
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -63.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -759.512537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.512537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.512537 (E_RNA)
where:
Base-Base interactions energy: -532.386
where: short stacking energy: -227.640
Base-Backbone interact. energy: -0.781
local terms energy: -226.345198
where:
bonds (distance) C4'-P energy: -44.212
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -61.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -713.711335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.711335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.711335 (E_RNA)
where:
Base-Base interactions energy: -484.310
where: short stacking energy: -207.300
Base-Backbone interact. energy: 1.035
local terms energy: -230.436626
where:
bonds (distance) C4'-P energy: -56.276
bonds (distance) P-C4' energy: -49.591
flat angles C4'-P-C4' energy: -45.715
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -53.884
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: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -707.072409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.072409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.072409 (E_RNA)
where:
Base-Base interactions energy: -469.931
where: short stacking energy: -210.148
Base-Backbone interact. energy: -1.235
local terms energy: -235.905906
where:
bonds (distance) C4'-P energy: -38.884
bonds (distance) P-C4' energy: -47.542
flat angles C4'-P-C4' energy: -54.565
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -65.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -560.857862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.857862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.857862 (E_RNA)
where:
Base-Base interactions energy: -367.718
where: short stacking energy: -151.866
Base-Backbone interact. energy: -0.081
local terms energy: -193.058943
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -34.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -231.161873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.161873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.161873 (E_RNA)
where:
Base-Base interactions energy: -81.890
where: short stacking energy: -68.988
Base-Backbone interact. energy: -1.371
local terms energy: -147.901152
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -40.974
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: 4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -969.651123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.651123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.651123 (E_RNA)
where:
Base-Base interactions energy: -682.380
where: short stacking energy: -294.943
Base-Backbone interact. energy: -1.792
local terms energy: -285.479628
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -50.335
flat angles C4'-P-C4' energy: -61.090
flat angles P-C4'-P energy: -47.406
tors. eta vs tors. theta energy: -83.306
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: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -921.097729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.097729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.097729 (E_RNA)
where:
Base-Base interactions energy: -631.553
where: short stacking energy: -262.583
Base-Backbone interact. energy: 0.767
local terms energy: -290.311242
where:
bonds (distance) C4'-P energy: -47.793
bonds (distance) P-C4' energy: -58.411
flat angles C4'-P-C4' energy: -60.551
flat angles P-C4'-P energy: -46.642
tors. eta vs tors. theta energy: -76.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -853.778457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.778457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.778457 (E_RNA)
where:
Base-Base interactions energy: -591.358
where: short stacking energy: -243.961
Base-Backbone interact. energy: -1.338
local terms energy: -261.082577
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -40.149
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -846.369762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.369762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.369762 (E_RNA)
where:
Base-Base interactions energy: -580.965
where: short stacking energy: -263.151
Base-Backbone interact. energy: -0.764
local terms energy: -264.640560
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: -69.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -815.284108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.284108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.284108 (E_RNA)
where:
Base-Base interactions energy: -556.561
where: short stacking energy: -231.328
Base-Backbone interact. energy: -0.821
local terms energy: -257.902721
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -36.139
tors. eta vs tors. theta energy: -62.792
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: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -787.175742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.175742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.175742 (E_RNA)
where:
Base-Base interactions energy: -536.135
where: short stacking energy: -230.288
Base-Backbone interact. energy: -1.159
local terms energy: -249.881956
where:
bonds (distance) C4'-P energy: -42.275
bonds (distance) P-C4' energy: -50.952
flat angles C4'-P-C4' energy: -59.069
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -65.111
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: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -720.852952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.852952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.852952 (E_RNA)
where:
Base-Base interactions energy: -499.897
where: short stacking energy: -204.403
Base-Backbone interact. energy: -0.970
local terms energy: -219.985347
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -43.943
flat angles P-C4'-P energy: -26.476
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: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -681.873460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.873460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.873460 (E_RNA)
where:
Base-Base interactions energy: -476.289
where: short stacking energy: -192.117
Base-Backbone interact. energy: -0.900
local terms energy: -204.684919
where:
bonds (distance) C4'-P energy: -44.101
bonds (distance) P-C4' energy: -42.130
flat angles C4'-P-C4' energy: -47.797
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -582.217244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.217244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.217244 (E_RNA)
where:
Base-Base interactions energy: -382.368
where: short stacking energy: -169.455
Base-Backbone interact. energy: -0.785
local terms energy: -199.064355
where:
bonds (distance) C4'-P energy: -36.122
bonds (distance) P-C4' energy: -47.086
flat angles C4'-P-C4' energy: -58.926
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -35.294
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: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -215.667883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.667883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.667883 (E_RNA)
where:
Base-Base interactions energy: -65.130
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.052
local terms energy: -150.485944
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -49.717
flat angles C4'-P-C4' energy: -37.123
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: 7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -968.937466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.937466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.937466 (E_RNA)
where:
Base-Base interactions energy: -673.118
where: short stacking energy: -285.753
Base-Backbone interact. energy: -1.093
local terms energy: -294.726667
where:
bonds (distance) C4'-P energy: -56.435
bonds (distance) P-C4' energy: -59.936
flat angles C4'-P-C4' energy: -60.106
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -77.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -926.342710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.342710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.342710 (E_RNA)
where:
Base-Base interactions energy: -648.160
where: short stacking energy: -270.226
Base-Backbone interact. energy: 0.436
local terms energy: -278.619269
where:
bonds (distance) C4'-P energy: -44.867
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -79.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -879.450139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.450139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.450139 (E_RNA)
where:
Base-Base interactions energy: -607.396
where: short stacking energy: -260.417
Base-Backbone interact. energy: -0.662
local terms energy: -271.392217
where:
bonds (distance) C4'-P energy: -53.134
bonds (distance) P-C4' energy: -48.212
flat angles C4'-P-C4' energy: -58.755
flat angles P-C4'-P energy: -39.474
tors. eta vs tors. theta energy: -71.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -841.707417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.707417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.707417 (E_RNA)
where:
Base-Base interactions energy: -561.631
where: short stacking energy: -262.529
Base-Backbone interact. energy: -1.002
local terms energy: -279.074950
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -39.487
tors. eta vs tors. theta energy: -73.693
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: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -812.630241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.630241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.630241 (E_RNA)
where:
Base-Base interactions energy: -553.959
where: short stacking energy: -243.406
Base-Backbone interact. energy: -0.933
local terms energy: -257.738267
where:
bonds (distance) C4'-P energy: -48.023
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -51.076
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -75.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -782.062114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.062114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.062114 (E_RNA)
where:
Base-Base interactions energy: -538.538
where: short stacking energy: -216.900
Base-Backbone interact. energy: -0.813
local terms energy: -242.711472
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -37.753
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -35.049
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -769.105453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.105453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.105453 (E_RNA)
where:
Base-Base interactions energy: -523.903
where: short stacking energy: -207.329
Base-Backbone interact. energy: -2.045
local terms energy: -243.157590
where:
bonds (distance) C4'-P energy: -48.869
bonds (distance) P-C4' energy: -44.436
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -56.468
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: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -662.172349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.172349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.172349 (E_RNA)
where:
Base-Base interactions energy: -439.495
where: short stacking energy: -183.681
Base-Backbone interact. energy: 1.322
local terms energy: -223.999697
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -42.896
flat angles C4'-P-C4' energy: -57.125
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -574.149884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.149884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.149884 (E_RNA)
where:
Base-Base interactions energy: -374.152
where: short stacking energy: -170.786
Base-Backbone interact. energy: -0.854
local terms energy: -199.143968
where:
bonds (distance) C4'-P energy: -44.488
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -52.488
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -34.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -228.358089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.358089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.358089 (E_RNA)
where:
Base-Base interactions energy: -84.172
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.326
local terms energy: -143.860515
where:
bonds (distance) C4'-P energy: -36.765
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: 3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -972.759639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.759639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.759639 (E_RNA)
where:
Base-Base interactions energy: -682.124
where: short stacking energy: -285.354
Base-Backbone interact. energy: -2.627
local terms energy: -288.008648
where:
bonds (distance) C4'-P energy: -56.761
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -64.540
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -81.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -928.028619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.028619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.028619 (E_RNA)
where:
Base-Base interactions energy: -636.931
where: short stacking energy: -261.248
Base-Backbone interact. energy: 1.136
local terms energy: -292.233672
where:
bonds (distance) C4'-P energy: -58.205
bonds (distance) P-C4' energy: -53.996
flat angles C4'-P-C4' energy: -59.667
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -77.583
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: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -846.527594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.527594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.527594 (E_RNA)
where:
Base-Base interactions energy: -580.376
where: short stacking energy: -235.546
Base-Backbone interact. energy: -0.563
local terms energy: -265.589121
where:
bonds (distance) C4'-P energy: -57.368
bonds (distance) P-C4' energy: -50.352
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -68.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -849.604692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.604692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.604692 (E_RNA)
where:
Base-Base interactions energy: -588.208
where: short stacking energy: -267.686
Base-Backbone interact. energy: -0.852
local terms energy: -260.544518
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -49.762
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -72.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -823.553962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.553962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.553962 (E_RNA)
where:
Base-Base interactions energy: -571.587
where: short stacking energy: -251.284
Base-Backbone interact. energy: 0.434
local terms energy: -252.401058
where:
bonds (distance) C4'-P energy: -48.550
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -49.730
flat angles P-C4'-P energy: -33.995
tors. eta vs tors. theta energy: -67.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -780.188281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.188281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.188281 (E_RNA)
where:
Base-Base interactions energy: -527.109
where: short stacking energy: -227.035
Base-Backbone interact. energy: -0.360
local terms energy: -252.719156
where:
bonds (distance) C4'-P energy: -47.507
bonds (distance) P-C4' energy: -54.421
flat angles C4'-P-C4' energy: -48.113
flat angles P-C4'-P energy: -43.935
tors. eta vs tors. theta energy: -58.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -724.339718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.339718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.339718 (E_RNA)
where:
Base-Base interactions energy: -503.773
where: short stacking energy: -206.971
Base-Backbone interact. energy: 0.861
local terms energy: -221.427173
where:
bonds (distance) C4'-P energy: -42.631
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -56.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -697.283581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.283581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.283581 (E_RNA)
where:
Base-Base interactions energy: -481.584
where: short stacking energy: -203.313
Base-Backbone interact. energy: -2.344
local terms energy: -213.355325
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -43.260
flat angles P-C4'-P energy: -33.762
tors. eta vs tors. theta energy: -54.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -572.451219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.451219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.451219 (E_RNA)
where:
Base-Base interactions energy: -370.250
where: short stacking energy: -190.160
Base-Backbone interact. energy: 1.893
local terms energy: -204.094454
where:
bonds (distance) C4'-P energy: -43.257
bonds (distance) P-C4' energy: -48.149
flat angles C4'-P-C4' energy: -42.123
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -46.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -219.224104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.224104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.224104 (E_RNA)
where:
Base-Base interactions energy: -68.489
where: short stacking energy: -57.436
Base-Backbone interact. energy: 0.251
local terms energy: -150.985289
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -48.970
flat angles C4'-P-C4' energy: -48.685
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -965.686881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.686881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.686881 (E_RNA)
where:
Base-Base interactions energy: -662.936
where: short stacking energy: -292.553
Base-Backbone interact. energy: -0.165
local terms energy: -302.585630
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -64.801
flat angles P-C4'-P energy: -38.379
tors. eta vs tors. theta energy: -85.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -934.527865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.527865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.527865 (E_RNA)
where:
Base-Base interactions energy: -647.691
where: short stacking energy: -259.820
Base-Backbone interact. energy: 1.650
local terms energy: -288.486562
where:
bonds (distance) C4'-P energy: -49.920
bonds (distance) P-C4' energy: -57.533
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: -78.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -892.579394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.579394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.579394 (E_RNA)
where:
Base-Base interactions energy: -603.511
where: short stacking energy: -269.883
Base-Backbone interact. energy: -0.077
local terms energy: -288.991840
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -59.872
flat angles C4'-P-C4' energy: -60.729
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -81.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -826.216796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.216796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.216796 (E_RNA)
where:
Base-Base interactions energy: -568.267
where: short stacking energy: -232.310
Base-Backbone interact. energy: -1.331
local terms energy: -256.618709
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -66.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -814.187373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.187373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.187373 (E_RNA)
where:
Base-Base interactions energy: -547.660
where: short stacking energy: -226.825
Base-Backbone interact. energy: 0.145
local terms energy: -266.672081
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -65.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -789.526024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.526024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.526024 (E_RNA)
where:
Base-Base interactions energy: -537.292
where: short stacking energy: -234.408
Base-Backbone interact. energy: -0.768
local terms energy: -251.466385
where:
bonds (distance) C4'-P energy: -45.989
bonds (distance) P-C4' energy: -50.612
flat angles C4'-P-C4' energy: -52.244
flat angles P-C4'-P energy: -33.138
tors. eta vs tors. theta energy: -69.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -734.346157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.346157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.346157 (E_RNA)
where:
Base-Base interactions energy: -520.600
where: short stacking energy: -205.196
Base-Backbone interact. energy: 1.133
local terms energy: -214.879388
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -49.747
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -50.272
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: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -691.733019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.733019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.733019 (E_RNA)
where:
Base-Base interactions energy: -460.129
where: short stacking energy: -190.907
Base-Backbone interact. energy: -0.588
local terms energy: -231.015509
where:
bonds (distance) C4'-P energy: -42.662
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -52.266
flat angles P-C4'-P energy: -29.052
tors. eta vs tors. theta energy: -56.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -599.405495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.405495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.405495 (E_RNA)
where:
Base-Base interactions energy: -393.050
where: short stacking energy: -193.492
Base-Backbone interact. energy: -0.492
local terms energy: -205.863347
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -45.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -238.605600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.605600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.605600 (E_RNA)
where:
Base-Base interactions energy: -92.879
where: short stacking energy: -74.387
Base-Backbone interact. energy: 0.770
local terms energy: -146.496877
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -49.054
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -955.218914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.218914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.218914 (E_RNA)
where:
Base-Base interactions energy: -651.302
where: short stacking energy: -287.209
Base-Backbone interact. energy: -2.690
local terms energy: -301.227072
where:
bonds (distance) C4'-P energy: -57.389
bonds (distance) P-C4' energy: -55.863
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: -82.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -924.092486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.092486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.092486 (E_RNA)
where:
Base-Base interactions energy: -634.787
where: short stacking energy: -272.652
Base-Backbone interact. energy: 0.886
local terms energy: -290.191712
where:
bonds (distance) C4'-P energy: -55.795
bonds (distance) P-C4' energy: -54.740
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -80.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -888.742929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.742929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.742929 (E_RNA)
where:
Base-Base interactions energy: -611.219
where: short stacking energy: -265.882
Base-Backbone interact. energy: 0.155
local terms energy: -277.679144
where:
bonds (distance) C4'-P energy: -56.107
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -57.041
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -74.645
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: 107
Temperature: 1.050000
Total energy: -827.733660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.733660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.733660 (E_RNA)
where:
Base-Base interactions energy: -569.783
where: short stacking energy: -254.376
Base-Backbone interact. energy: -0.315
local terms energy: -257.635273
where:
bonds (distance) C4'-P energy: -47.373
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -54.926
flat angles P-C4'-P energy: -37.733
tors. eta vs tors. theta energy: -63.346
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: 107
Temperature: 1.100000
Total energy: -811.018412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.018412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.018412 (E_RNA)
where:
Base-Base interactions energy: -567.115
where: short stacking energy: -234.657
Base-Backbone interact. energy: 1.101
local terms energy: -245.003893
where:
bonds (distance) C4'-P energy: -50.325
bonds (distance) P-C4' energy: -51.668
flat angles C4'-P-C4' energy: -50.957
flat angles P-C4'-P energy: -31.610
tors. eta vs tors. theta energy: -60.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -761.516452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.516452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.516452 (E_RNA)
where:
Base-Base interactions energy: -513.780
where: short stacking energy: -205.620
Base-Backbone interact. energy: 0.607
local terms energy: -248.343696
where:
bonds (distance) C4'-P energy: -60.667
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -60.251
flat angles P-C4'-P energy: -26.677
tors. eta vs tors. theta energy: -59.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -753.402846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.402846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.402846 (E_RNA)
where:
Base-Base interactions energy: -512.629
where: short stacking energy: -216.021
Base-Backbone interact. energy: -1.179
local terms energy: -239.595554
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -53.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -676.440592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.440592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.440592 (E_RNA)
where:
Base-Base interactions energy: -439.447
where: short stacking energy: -192.914
Base-Backbone interact. energy: -0.272
local terms energy: -236.721891
where:
bonds (distance) C4'-P energy: -51.257
bonds (distance) P-C4' energy: -52.999
flat angles C4'-P-C4' energy: -49.937
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -43.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -595.387630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.387630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.387630 (E_RNA)
where:
Base-Base interactions energy: -375.335
where: short stacking energy: -166.674
Base-Backbone interact. energy: -0.549
local terms energy: -219.503976
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -42.660
flat angles C4'-P-C4' energy: -51.936
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -41.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -252.127652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.127652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.127652 (E_RNA)
where:
Base-Base interactions energy: -103.492
where: short stacking energy: -60.932
Base-Backbone interact. energy: -1.462
local terms energy: -147.173179
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -53.976
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: 11.277
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: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -951.106918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.106918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.106918 (E_RNA)
where:
Base-Base interactions energy: -658.683
where: short stacking energy: -279.620
Base-Backbone interact. energy: 1.363
local terms energy: -293.786817
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -65.431
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -82.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -954.872905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.872905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.872905 (E_RNA)
where:
Base-Base interactions energy: -650.392
where: short stacking energy: -278.721
Base-Backbone interact. energy: -1.535
local terms energy: -302.945575
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -53.727
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -46.647
tors. eta vs tors. theta energy: -81.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -853.883756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.883756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.883756 (E_RNA)
where:
Base-Base interactions energy: -585.741
where: short stacking energy: -257.843
Base-Backbone interact. energy: -0.982
local terms energy: -267.160227
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -51.898
flat angles C4'-P-C4' energy: -57.040
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -75.959
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -830.381691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.381691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.381691 (E_RNA)
where:
Base-Base interactions energy: -569.903
where: short stacking energy: -237.815
Base-Backbone interact. energy: 0.575
local terms energy: -261.053464
where:
bonds (distance) C4'-P energy: -49.159
bonds (distance) P-C4' energy: -43.503
flat angles C4'-P-C4' energy: -58.060
flat angles P-C4'-P energy: -39.567
tors. eta vs tors. theta energy: -70.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -815.038097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.038097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.038097 (E_RNA)
where:
Base-Base interactions energy: -566.433
where: short stacking energy: -222.630
Base-Backbone interact. energy: -0.204
local terms energy: -248.401407
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -52.381
flat angles C4'-P-C4' energy: -55.305
flat angles P-C4'-P energy: -27.761
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -781.031424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.031424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.031424 (E_RNA)
where:
Base-Base interactions energy: -532.945
where: short stacking energy: -197.238
Base-Backbone interact. energy: 1.588
local terms energy: -249.673691
where:
bonds (distance) C4'-P energy: -54.281
bonds (distance) P-C4' energy: -43.105
flat angles C4'-P-C4' energy: -58.006
flat angles P-C4'-P energy: -38.217
tors. eta vs tors. theta energy: -56.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -740.696206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.696206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.696206 (E_RNA)
where:
Base-Base interactions energy: -508.263
where: short stacking energy: -211.730
Base-Backbone interact. energy: -0.874
local terms energy: -231.559267
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -63.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -668.166021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.166021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.166021 (E_RNA)
where:
Base-Base interactions energy: -471.718
where: short stacking energy: -194.012
Base-Backbone interact. energy: -0.999
local terms energy: -195.448918
where:
bonds (distance) C4'-P energy: -40.927
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -46.277
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: -33.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -562.620914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.620914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.620914 (E_RNA)
where:
Base-Base interactions energy: -370.167
where: short stacking energy: -160.665
Base-Backbone interact. energy: -1.123
local terms energy: -191.330842
where:
bonds (distance) C4'-P energy: -43.724
bonds (distance) P-C4' energy: -44.288
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -31.428
tors. eta vs tors. theta energy: -28.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -246.064727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.064727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.064727 (E_RNA)
where:
Base-Base interactions energy: -93.819
where: short stacking energy: -88.077
Base-Backbone interact. energy: -0.345
local terms energy: -151.900916
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -44.828
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -954.616528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.616528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.616528 (E_RNA)
where:
Base-Base interactions energy: -659.071
where: short stacking energy: -275.307
Base-Backbone interact. energy: 0.510
local terms energy: -296.056041
where:
bonds (distance) C4'-P energy: -56.941
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -82.183
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: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -927.290215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.290215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.290215 (E_RNA)
where:
Base-Base interactions energy: -655.416
where: short stacking energy: -288.030
Base-Backbone interact. energy: 1.496
local terms energy: -273.370202
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -57.402
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -76.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -882.057583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.057583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.057583 (E_RNA)
where:
Base-Base interactions energy: -599.807
where: short stacking energy: -251.761
Base-Backbone interact. energy: -0.350
local terms energy: -281.901262
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -58.899
flat angles C4'-P-C4' energy: -56.035
flat angles P-C4'-P energy: -47.605
tors. eta vs tors. theta energy: -69.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -832.064698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.064698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.064698 (E_RNA)
where:
Base-Base interactions energy: -561.005
where: short stacking energy: -253.594
Base-Backbone interact. energy: -0.550
local terms energy: -270.510086
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -55.906
flat angles P-C4'-P energy: -43.552
tors. eta vs tors. theta energy: -72.939
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: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -796.419242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.419242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.419242 (E_RNA)
where:
Base-Base interactions energy: -544.080
where: short stacking energy: -207.826
Base-Backbone interact. energy: -1.073
local terms energy: -251.265620
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -54.117
flat angles C4'-P-C4' energy: -51.302
flat angles P-C4'-P energy: -40.249
tors. eta vs tors. theta energy: -56.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -787.448792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.448792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.448792 (E_RNA)
where:
Base-Base interactions energy: -527.890
where: short stacking energy: -236.251
Base-Backbone interact. energy: 2.067
local terms energy: -261.625844
where:
bonds (distance) C4'-P energy: -39.037
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -56.407
flat angles P-C4'-P energy: -38.974
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: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -757.095185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.095185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.095185 (E_RNA)
where:
Base-Base interactions energy: -499.864
where: short stacking energy: -207.626
Base-Backbone interact. energy: -0.545
local terms energy: -256.686309
where:
bonds (distance) C4'-P energy: -55.184
bonds (distance) P-C4' energy: -56.218
flat angles C4'-P-C4' energy: -54.302
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -686.800010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.800010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.800010 (E_RNA)
where:
Base-Base interactions energy: -456.411
where: short stacking energy: -190.542
Base-Backbone interact. energy: 3.489
local terms energy: -233.877959
where:
bonds (distance) C4'-P energy: -44.282
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -48.692
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -48.858
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: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -569.876226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.876226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.876226 (E_RNA)
where:
Base-Base interactions energy: -367.340
where: short stacking energy: -161.226
Base-Backbone interact. energy: -0.796
local terms energy: -201.740209
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -48.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -245.821975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.821975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.821975 (E_RNA)
where:
Base-Base interactions energy: -96.308
where: short stacking energy: -73.712
Base-Backbone interact. energy: -1.074
local terms energy: -148.440105
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -39.381
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -955.575579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.575579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.575579 (E_RNA)
where:
Base-Base interactions energy: -657.134
where: short stacking energy: -281.121
Base-Backbone interact. energy: 0.190
local terms energy: -298.630928
where:
bonds (distance) C4'-P energy: -56.230
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -40.805
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: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -924.490993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.490993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.490993 (E_RNA)
where:
Base-Base interactions energy: -650.145
where: short stacking energy: -255.602
Base-Backbone interact. energy: -1.062
local terms energy: -273.284328
where:
bonds (distance) C4'-P energy: -49.045
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -77.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -893.383400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.383400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.383400 (E_RNA)
where:
Base-Base interactions energy: -614.856
where: short stacking energy: -261.102
Base-Backbone interact. energy: -1.936
local terms energy: -276.591372
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -35.866
tors. eta vs tors. theta energy: -77.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -855.993523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.993523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.993523 (E_RNA)
where:
Base-Base interactions energy: -582.630
where: short stacking energy: -267.581
Base-Backbone interact. energy: -0.296
local terms energy: -273.067258
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -51.832
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -76.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -810.530659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.530659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.530659 (E_RNA)
where:
Base-Base interactions energy: -567.670
where: short stacking energy: -224.615
Base-Backbone interact. energy: -1.522
local terms energy: -241.339143
where:
bonds (distance) C4'-P energy: -50.415
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -35.144
tors. eta vs tors. theta energy: -63.539
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: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -786.840353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.840353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.840353 (E_RNA)
where:
Base-Base interactions energy: -537.716
where: short stacking energy: -235.773
Base-Backbone interact. energy: -1.024
local terms energy: -248.100897
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -70.145
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: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -693.400590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.400590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.400590 (E_RNA)
where:
Base-Base interactions energy: -485.653
where: short stacking energy: -185.859
Base-Backbone interact. energy: -0.794
local terms energy: -206.953449
where:
bonds (distance) C4'-P energy: -40.630
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -41.897
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -48.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -744.751833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.751833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.751833 (E_RNA)
where:
Base-Base interactions energy: -507.434
where: short stacking energy: -206.626
Base-Backbone interact. energy: -0.414
local terms energy: -236.903855
where:
bonds (distance) C4'-P energy: -41.509
bonds (distance) P-C4' energy: -52.763
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -35.576
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: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -590.442138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.442138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.442138 (E_RNA)
where:
Base-Base interactions energy: -370.382
where: short stacking energy: -185.262
Base-Backbone interact. energy: 0.879
local terms energy: -220.938738
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -26.045
tors. eta vs tors. theta energy: -54.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -228.426998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.426998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.426998 (E_RNA)
where:
Base-Base interactions energy: -74.473
where: short stacking energy: -65.356
Base-Backbone interact. energy: -0.532
local terms energy: -153.422532
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -44.296
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -960.704721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.704721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.704721 (E_RNA)
where:
Base-Base interactions energy: -665.228
where: short stacking energy: -293.947
Base-Backbone interact. energy: -1.773
local terms energy: -293.704331
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -47.334
flat angles C4'-P-C4' energy: -64.016
flat angles P-C4'-P energy: -41.725
tors. eta vs tors. theta energy: -88.566
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: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -909.152914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.152914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.152914 (E_RNA)
where:
Base-Base interactions energy: -626.083
where: short stacking energy: -268.003
Base-Backbone interact. energy: -0.732
local terms energy: -282.337969
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -63.565
flat angles P-C4'-P energy: -42.039
tors. eta vs tors. theta energy: -73.509
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: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -908.947032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.947032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.947032 (E_RNA)
where:
Base-Base interactions energy: -612.245
where: short stacking energy: -259.077
Base-Backbone interact. energy: -1.311
local terms energy: -295.390305
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -44.070
tors. eta vs tors. theta energy: -83.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -838.788597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.788597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.788597 (E_RNA)
where:
Base-Base interactions energy: -582.393
where: short stacking energy: -243.745
Base-Backbone interact. energy: 0.342
local terms energy: -256.737591
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -57.663
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: -68.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -816.149335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.149335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.149335 (E_RNA)
where:
Base-Base interactions energy: -563.669
where: short stacking energy: -243.210
Base-Backbone interact. energy: 2.426
local terms energy: -254.906554
where:
bonds (distance) C4'-P energy: -46.770
bonds (distance) P-C4' energy: -45.792
flat angles C4'-P-C4' energy: -51.801
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -72.537
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: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -790.894294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.894294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.894294 (E_RNA)
where:
Base-Base interactions energy: -539.874
where: short stacking energy: -233.395
Base-Backbone interact. energy: -0.705
local terms energy: -250.316071
where:
bonds (distance) C4'-P energy: -50.763
bonds (distance) P-C4' energy: -47.649
flat angles C4'-P-C4' energy: -55.655
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -64.080
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: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -723.027283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.027283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.027283 (E_RNA)
where:
Base-Base interactions energy: -488.460
where: short stacking energy: -207.745
Base-Backbone interact. energy: -0.552
local terms energy: -234.015868
where:
bonds (distance) C4'-P energy: -50.319
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -47.304
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -53.245
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: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -710.653191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.653191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.653191 (E_RNA)
where:
Base-Base interactions energy: -512.150
where: short stacking energy: -213.002
Base-Backbone interact. energy: -1.579
local terms energy: -196.924724
where:
bonds (distance) C4'-P energy: -34.497
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -55.235
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: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -592.352778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.352778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.352778 (E_RNA)
where:
Base-Base interactions energy: -383.548
where: short stacking energy: -183.146
Base-Backbone interact. energy: 1.727
local terms energy: -210.532270
where:
bonds (distance) C4'-P energy: -40.855
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -52.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -215.189588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.189588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189588 (E_RNA)
where:
Base-Base interactions energy: -81.233
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.192
local terms energy: -133.764504
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: 4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -946.530309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.530309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.530309 (E_RNA)
where:
Base-Base interactions energy: -653.322
where: short stacking energy: -286.341
Base-Backbone interact. energy: 1.267
local terms energy: -294.475988
where:
bonds (distance) C4'-P energy: -54.491
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -66.747
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -82.067
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: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -908.917381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.917381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.917381 (E_RNA)
where:
Base-Base interactions energy: -629.605
where: short stacking energy: -294.281
Base-Backbone interact. energy: -1.307
local terms energy: -278.004911
where:
bonds (distance) C4'-P energy: -50.399
bonds (distance) P-C4' energy: -40.708
flat angles C4'-P-C4' energy: -62.550
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -85.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -932.020627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.020627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.020627 (E_RNA)
where:
Base-Base interactions energy: -637.572
where: short stacking energy: -270.713
Base-Backbone interact. energy: 0.943
local terms energy: -295.391654
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -66.616
flat angles P-C4'-P energy: -45.059
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: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -827.415338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.415338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.415338 (E_RNA)
where:
Base-Base interactions energy: -575.735
where: short stacking energy: -244.784
Base-Backbone interact. energy: 0.326
local terms energy: -252.006556
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -46.246
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -37.166
tors. eta vs tors. theta energy: -68.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -813.760067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.760067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.760067 (E_RNA)
where:
Base-Base interactions energy: -557.043
where: short stacking energy: -235.426
Base-Backbone interact. energy: 6.317
local terms energy: -263.033736
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -56.315
flat angles C4'-P-C4' energy: -52.168
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -70.177
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: 112
Temperature: 1.150000
Total energy: -788.736851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.736851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.736851 (E_RNA)
where:
Base-Base interactions energy: -536.000
where: short stacking energy: -223.612
Base-Backbone interact. energy: -1.283
local terms energy: -251.454005
where:
bonds (distance) C4'-P energy: -39.661
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -68.579
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: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -729.957637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.957637 (E_RNA)
where:
Base-Base interactions energy: -494.620
where: short stacking energy: -216.948
Base-Backbone interact. energy: -1.103
local terms energy: -234.234115
where:
bonds (distance) C4'-P energy: -41.900
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -56.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -705.393872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.393872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.393872 (E_RNA)
where:
Base-Base interactions energy: -502.229
where: short stacking energy: -210.326
Base-Backbone interact. energy: 1.129
local terms energy: -204.293289
where:
bonds (distance) C4'-P energy: -39.045
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -37.485
tors. eta vs tors. theta energy: -48.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -563.048188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.048188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.048188 (E_RNA)
where:
Base-Base interactions energy: -353.053
where: short stacking energy: -161.310
Base-Backbone interact. energy: -1.091
local terms energy: -208.904396
where:
bonds (distance) C4'-P energy: -43.172
bonds (distance) P-C4' energy: -48.046
flat angles C4'-P-C4' energy: -50.664
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -40.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -238.731878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.731878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.731878 (E_RNA)
where:
Base-Base interactions energy: -74.207
where: short stacking energy: -57.345
Base-Backbone interact. energy: -0.866
local terms energy: -163.658217
where:
bonds (distance) C4'-P energy: -48.109
bonds (distance) P-C4' energy: -44.410
flat angles C4'-P-C4' energy: -46.620
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: 2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -961.076942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.076942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.076942 (E_RNA)
where:
Base-Base interactions energy: -670.966
where: short stacking energy: -283.943
Base-Backbone interact. energy: -1.195
local terms energy: -288.916273
where:
bonds (distance) C4'-P energy: -50.646
bonds (distance) P-C4' energy: -49.853
flat angles C4'-P-C4' energy: -64.863
flat angles P-C4'-P energy: -39.753
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: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -917.229730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.229730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.229730 (E_RNA)
where:
Base-Base interactions energy: -625.388
where: short stacking energy: -272.304
Base-Backbone interact. energy: -0.574
local terms energy: -291.268401
where:
bonds (distance) C4'-P energy: -53.476
bonds (distance) P-C4' energy: -52.314
flat angles C4'-P-C4' energy: -59.280
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -79.904
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: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -911.976998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.976998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.976998 (E_RNA)
where:
Base-Base interactions energy: -633.317
where: short stacking energy: -261.662
Base-Backbone interact. energy: -0.888
local terms energy: -277.772364
where:
bonds (distance) C4'-P energy: -45.466
bonds (distance) P-C4' energy: -55.318
flat angles C4'-P-C4' energy: -57.036
flat angles P-C4'-P energy: -36.266
tors. eta vs tors. theta energy: -83.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -853.415667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.415667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.415667 (E_RNA)
where:
Base-Base interactions energy: -585.861
where: short stacking energy: -236.644
Base-Backbone interact. energy: -0.789
local terms energy: -266.765781
where:
bonds (distance) C4'-P energy: -54.666
bonds (distance) P-C4' energy: -51.166
flat angles C4'-P-C4' energy: -57.142
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -70.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -831.980148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.980148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.980148 (E_RNA)
where:
Base-Base interactions energy: -570.115
where: short stacking energy: -241.084
Base-Backbone interact. energy: -1.420
local terms energy: -260.445585
where:
bonds (distance) C4'-P energy: -61.782
bonds (distance) P-C4' energy: -49.952
flat angles C4'-P-C4' energy: -45.763
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -63.562
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: 113
Temperature: 1.150000
Total energy: -789.598446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.598446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.598446 (E_RNA)
where:
Base-Base interactions energy: -547.830
where: short stacking energy: -223.571
Base-Backbone interact. energy: -0.582
local terms energy: -241.186411
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -49.092
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -57.530
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: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -748.755361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.755361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.755361 (E_RNA)
where:
Base-Base interactions energy: -526.391
where: short stacking energy: -225.271
Base-Backbone interact. energy: 0.454
local terms energy: -222.818332
where:
bonds (distance) C4'-P energy: -39.244
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -50.138
flat angles P-C4'-P energy: -33.617
tors. eta vs tors. theta energy: -63.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -688.532972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.532972 (E_RNA)
where:
Base-Base interactions energy: -459.438
where: short stacking energy: -185.461
Base-Backbone interact. energy: 3.553
local terms energy: -232.647314
where:
bonds (distance) C4'-P energy: -47.764
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -49.433
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -49.161
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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -580.885785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.885785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.885785 (E_RNA)
where:
Base-Base interactions energy: -374.594
where: short stacking energy: -178.572
Base-Backbone interact. energy: -0.258
local terms energy: -206.033870
where:
bonds (distance) C4'-P energy: -37.220
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -47.908
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -42.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -231.115915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.115915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.115915 (E_RNA)
where:
Base-Base interactions energy: -88.840
where: short stacking energy: -68.177
Base-Backbone interact. energy: 0.158
local terms energy: -142.433986
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -50.426
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -963.105703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.105703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.105703 (E_RNA)
where:
Base-Base interactions energy: -666.322
where: short stacking energy: -294.320
Base-Backbone interact. energy: 2.262
local terms energy: -299.045297
where:
bonds (distance) C4'-P energy: -57.432
bonds (distance) P-C4' energy: -59.229
flat angles C4'-P-C4' energy: -60.804
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -80.913
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: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -911.919221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.919221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.919221 (E_RNA)
where:
Base-Base interactions energy: -624.326
where: short stacking energy: -276.684
Base-Backbone interact. energy: -1.678
local terms energy: -285.915673
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -55.246
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -75.865
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: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -900.891709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.891709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.891709 (E_RNA)
where:
Base-Base interactions energy: -628.761
where: short stacking energy: -268.376
Base-Backbone interact. energy: -0.916
local terms energy: -271.214597
where:
bonds (distance) C4'-P energy: -47.090
bonds (distance) P-C4' energy: -51.080
flat angles C4'-P-C4' energy: -63.667
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -73.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -834.117622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.117622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.117622 (E_RNA)
where:
Base-Base interactions energy: -557.958
where: short stacking energy: -245.689
Base-Backbone interact. energy: -0.978
local terms energy: -275.181196
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -48.156
flat angles C4'-P-C4' energy: -61.457
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -74.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -825.463044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.463044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.463044 (E_RNA)
where:
Base-Base interactions energy: -574.670
where: short stacking energy: -252.477
Base-Backbone interact. energy: -0.023
local terms energy: -250.769936
where:
bonds (distance) C4'-P energy: -49.875
bonds (distance) P-C4' energy: -45.208
flat angles C4'-P-C4' energy: -56.159
flat angles P-C4'-P energy: -39.832
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: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -769.581417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.581417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.581417 (E_RNA)
where:
Base-Base interactions energy: -542.046
where: short stacking energy: -228.185
Base-Backbone interact. energy: -0.300
local terms energy: -227.235538
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -42.830
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -67.523
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: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -786.438152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.438152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.438152 (E_RNA)
where:
Base-Base interactions energy: -531.410
where: short stacking energy: -226.535
Base-Backbone interact. energy: -0.442
local terms energy: -254.586128
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -41.251
flat angles C4'-P-C4' energy: -57.512
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -70.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -675.273784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.273784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.273784 (E_RNA)
where:
Base-Base interactions energy: -461.656
where: short stacking energy: -175.904
Base-Backbone interact. energy: -0.883
local terms energy: -212.733989
where:
bonds (distance) C4'-P energy: -41.677
bonds (distance) P-C4' energy: -40.911
flat angles C4'-P-C4' energy: -49.595
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -42.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -575.540874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.540874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.540874 (E_RNA)
where:
Base-Base interactions energy: -369.759
where: short stacking energy: -171.680
Base-Backbone interact. energy: 1.079
local terms energy: -206.861141
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -37.484
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: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -244.399330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.399330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.399330 (E_RNA)
where:
Base-Base interactions energy: -93.128
where: short stacking energy: -79.848
Base-Backbone interact. energy: -1.234
local terms energy: -150.036715
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -45.075
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -4.648
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: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -964.398539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.398539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.398539 (E_RNA)
where:
Base-Base interactions energy: -657.469
where: short stacking energy: -282.006
Base-Backbone interact. energy: -2.504
local terms energy: -304.424733
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -57.804
flat angles C4'-P-C4' energy: -63.575
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -81.076
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: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -912.431533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.431533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.431533 (E_RNA)
where:
Base-Base interactions energy: -623.720
where: short stacking energy: -259.524
Base-Backbone interact. energy: -0.865
local terms energy: -287.846726
where:
bonds (distance) C4'-P energy: -55.849
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -44.929
tors. eta vs tors. theta energy: -82.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -872.954967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.954967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.954967 (E_RNA)
where:
Base-Base interactions energy: -601.396
where: short stacking energy: -263.029
Base-Backbone interact. energy: 1.505
local terms energy: -273.063699
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -59.388
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -76.584
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: 115
Temperature: 1.050000
Total energy: -841.262862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.262862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.262862 (E_RNA)
where:
Base-Base interactions energy: -586.276
where: short stacking energy: -255.268
Base-Backbone interact. energy: 0.244
local terms energy: -255.231688
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -44.945
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -70.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -794.304910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.304910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.304910 (E_RNA)
where:
Base-Base interactions energy: -540.305
where: short stacking energy: -235.506
Base-Backbone interact. energy: -0.927
local terms energy: -253.072688
where:
bonds (distance) C4'-P energy: -50.529
bonds (distance) P-C4' energy: -49.505
flat angles C4'-P-C4' energy: -55.891
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -67.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -811.321632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.321632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.321632 (E_RNA)
where:
Base-Base interactions energy: -552.535
where: short stacking energy: -224.036
Base-Backbone interact. energy: -0.590
local terms energy: -258.195829
where:
bonds (distance) C4'-P energy: -43.756
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -72.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -775.375629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.375629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.375629 (E_RNA)
where:
Base-Base interactions energy: -514.909
where: short stacking energy: -210.503
Base-Backbone interact. energy: -1.895
local terms energy: -258.571545
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -61.655
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -64.366
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: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -667.043613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.043613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.043613 (E_RNA)
where:
Base-Base interactions energy: -473.202
where: short stacking energy: -187.201
Base-Backbone interact. energy: 1.410
local terms energy: -195.251818
where:
bonds (distance) C4'-P energy: -43.832
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -46.841
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -588.801293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.801293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.801293 (E_RNA)
where:
Base-Base interactions energy: -396.090
where: short stacking energy: -187.363
Base-Backbone interact. energy: -0.592
local terms energy: -192.118861
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -44.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -276.811707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.811707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.811707 (E_RNA)
where:
Base-Base interactions energy: -132.694
where: short stacking energy: -85.075
Base-Backbone interact. energy: 1.564
local terms energy: -145.681746
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -49.046
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: 7.933
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: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -966.405220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.405220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.405220 (E_RNA)
where:
Base-Base interactions energy: -680.362
where: short stacking energy: -292.559
Base-Backbone interact. energy: -0.744
local terms energy: -285.299383
where:
bonds (distance) C4'-P energy: -47.512
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -58.118
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -84.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -924.240327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.240327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.240327 (E_RNA)
where:
Base-Base interactions energy: -647.089
where: short stacking energy: -261.599
Base-Backbone interact. energy: 0.712
local terms energy: -277.863449
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -56.790
flat angles C4'-P-C4' energy: -55.945
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -77.755
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: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -872.342024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.342024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.342024 (E_RNA)
where:
Base-Base interactions energy: -601.614
where: short stacking energy: -260.037
Base-Backbone interact. energy: 5.436
local terms energy: -276.164077
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -57.879
flat angles C4'-P-C4' energy: -55.843
flat angles P-C4'-P energy: -35.837
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: 116
Temperature: 1.050000
Total energy: -840.157582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.157582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.157582 (E_RNA)
where:
Base-Base interactions energy: -569.243
where: short stacking energy: -245.816
Base-Backbone interact. energy: -1.988
local terms energy: -268.926316
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -56.997
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -67.496
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: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -834.618318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.618318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.618318 (E_RNA)
where:
Base-Base interactions energy: -586.986
where: short stacking energy: -242.268
Base-Backbone interact. energy: -0.260
local terms energy: -247.373281
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -55.479
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -61.900
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: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -804.198049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.198049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.198049 (E_RNA)
where:
Base-Base interactions energy: -553.700
where: short stacking energy: -233.481
Base-Backbone interact. energy: -1.455
local terms energy: -249.042287
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -49.480
flat angles P-C4'-P energy: -36.881
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: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -765.246404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.246404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.246404 (E_RNA)
where:
Base-Base interactions energy: -519.111
where: short stacking energy: -215.286
Base-Backbone interact. energy: -1.479
local terms energy: -244.656814
where:
bonds (distance) C4'-P energy: -49.027
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -59.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -716.090650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.090650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.090650 (E_RNA)
where:
Base-Base interactions energy: -488.545
where: short stacking energy: -194.400
Base-Backbone interact. energy: -0.991
local terms energy: -226.554008
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -52.364
flat angles P-C4'-P energy: -29.306
tors. eta vs tors. theta energy: -51.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -599.151033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.151033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.151033 (E_RNA)
where:
Base-Base interactions energy: -377.083
where: short stacking energy: -172.082
Base-Backbone interact. energy: 0.417
local terms energy: -222.485398
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -47.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -262.277249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.277249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.277249 (E_RNA)
where:
Base-Base interactions energy: -113.416
where: short stacking energy: -67.534
Base-Backbone interact. energy: 1.524
local terms energy: -150.385313
where:
bonds (distance) C4'-P energy: -53.038
bonds (distance) P-C4' energy: -40.190
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -1.293
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: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -960.055880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.055880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.055880 (E_RNA)
where:
Base-Base interactions energy: -672.848
where: short stacking energy: -289.868
Base-Backbone interact. energy: -0.636
local terms energy: -286.572300
where:
bonds (distance) C4'-P energy: -51.916
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -46.170
tors. eta vs tors. theta energy: -79.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -930.390831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.390831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.390831 (E_RNA)
where:
Base-Base interactions energy: -650.544
where: short stacking energy: -266.506
Base-Backbone interact. energy: -0.730
local terms energy: -279.116848
where:
bonds (distance) C4'-P energy: -53.803
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -83.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -854.777153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.777153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.777153 (E_RNA)
where:
Base-Base interactions energy: -571.398
where: short stacking energy: -254.730
Base-Backbone interact. energy: -0.202
local terms energy: -283.177245
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -57.855
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -38.818
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: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -845.934570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.934570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.934570 (E_RNA)
where:
Base-Base interactions energy: -575.595
where: short stacking energy: -258.010
Base-Backbone interact. energy: -0.328
local terms energy: -270.011763
where:
bonds (distance) C4'-P energy: -56.644
bonds (distance) P-C4' energy: -52.647
flat angles C4'-P-C4' energy: -58.019
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -69.813
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: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -844.503230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.503230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.503230 (E_RNA)
where:
Base-Base interactions energy: -567.413
where: short stacking energy: -245.948
Base-Backbone interact. energy: 0.339
local terms energy: -277.429444
where:
bonds (distance) C4'-P energy: -56.383
bonds (distance) P-C4' energy: -50.360
flat angles C4'-P-C4' energy: -59.237
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -77.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -818.928039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.928039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.928039 (E_RNA)
where:
Base-Base interactions energy: -564.339
where: short stacking energy: -234.856
Base-Backbone interact. energy: -1.050
local terms energy: -253.539045
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -53.290
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -68.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -756.435661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.435661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.435661 (E_RNA)
where:
Base-Base interactions energy: -531.376
where: short stacking energy: -222.836
Base-Backbone interact. energy: -0.011
local terms energy: -225.049112
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -54.070
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -57.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -716.689067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.689067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.689067 (E_RNA)
where:
Base-Base interactions energy: -475.798
where: short stacking energy: -192.300
Base-Backbone interact. energy: -0.639
local terms energy: -240.252126
where:
bonds (distance) C4'-P energy: -51.903
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -58.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -589.874829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.874829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.874829 (E_RNA)
where:
Base-Base interactions energy: -383.201
where: short stacking energy: -176.232
Base-Backbone interact. energy: -0.535
local terms energy: -206.138462
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -48.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -226.543289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543289 (E_RNA)
where:
Base-Base interactions energy: -78.014
where: short stacking energy: -69.474
Base-Backbone interact. energy: 0.662
local terms energy: -149.190986
where:
bonds (distance) C4'-P energy: -46.555
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -43.555
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: 9.040
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: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -957.890856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.890856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.890856 (E_RNA)
where:
Base-Base interactions energy: -670.447
where: short stacking energy: -281.282
Base-Backbone interact. energy: 2.470
local terms energy: -289.913939
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -57.138
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -84.094
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: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -937.766623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.766623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.766623 (E_RNA)
where:
Base-Base interactions energy: -650.258
where: short stacking energy: -283.135
Base-Backbone interact. energy: -1.232
local terms energy: -286.276419
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -55.057
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -76.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -868.066954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.066954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.066954 (E_RNA)
where:
Base-Base interactions energy: -608.330
where: short stacking energy: -268.298
Base-Backbone interact. energy: -0.856
local terms energy: -258.881215
where:
bonds (distance) C4'-P energy: -39.263
bonds (distance) P-C4' energy: -50.445
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -37.349
tors. eta vs tors. theta energy: -74.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -827.578254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.578254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.578254 (E_RNA)
where:
Base-Base interactions energy: -570.928
where: short stacking energy: -245.346
Base-Backbone interact. energy: 0.415
local terms energy: -257.065450
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -46.549
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -68.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -853.964859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.964859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.964859 (E_RNA)
where:
Base-Base interactions energy: -588.876
where: short stacking energy: -261.625
Base-Backbone interact. energy: -0.516
local terms energy: -264.572868
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -79.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -788.945791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.945791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.945791 (E_RNA)
where:
Base-Base interactions energy: -523.031
where: short stacking energy: -219.114
Base-Backbone interact. energy: -0.459
local terms energy: -265.455554
where:
bonds (distance) C4'-P energy: -51.226
bonds (distance) P-C4' energy: -53.770
flat angles C4'-P-C4' energy: -54.004
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -66.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -746.833095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.833095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.833095 (E_RNA)
where:
Base-Base interactions energy: -514.043
where: short stacking energy: -213.859
Base-Backbone interact. energy: 1.953
local terms energy: -234.742753
where:
bonds (distance) C4'-P energy: -46.805
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -31.100
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: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -719.018449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.018449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.018449 (E_RNA)
where:
Base-Base interactions energy: -488.193
where: short stacking energy: -200.732
Base-Backbone interact. energy: -0.771
local terms energy: -230.054943
where:
bonds (distance) C4'-P energy: -41.115
bonds (distance) P-C4' energy: -48.855
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: -61.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -598.656386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.656386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.656386 (E_RNA)
where:
Base-Base interactions energy: -378.094
where: short stacking energy: -176.168
Base-Backbone interact. energy: -0.250
local terms energy: -220.311932
where:
bonds (distance) C4'-P energy: -47.719
bonds (distance) P-C4' energy: -42.953
flat angles C4'-P-C4' energy: -52.664
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -47.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -241.556249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.556249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.556249 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -92.340
Base-Backbone interact. energy: -0.314
local terms energy: -147.746620
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -41.430
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -945.255333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.255333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.255333 (E_RNA)
where:
Base-Base interactions energy: -652.465
where: short stacking energy: -280.217
Base-Backbone interact. energy: -0.000
local terms energy: -292.790452
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -53.294
flat angles C4'-P-C4' energy: -63.224
flat angles P-C4'-P energy: -49.149
tors. eta vs tors. theta energy: -80.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -918.924143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.924143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.924143 (E_RNA)
where:
Base-Base interactions energy: -617.576
where: short stacking energy: -279.962
Base-Backbone interact. energy: -1.119
local terms energy: -300.229837
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: -88.753
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -870.663087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.663087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.663087 (E_RNA)
where:
Base-Base interactions energy: -603.173
where: short stacking energy: -252.428
Base-Backbone interact. energy: 2.771
local terms energy: -270.261882
where:
bonds (distance) C4'-P energy: -51.530
bonds (distance) P-C4' energy: -55.302
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -75.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -873.830464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.830464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.830464 (E_RNA)
where:
Base-Base interactions energy: -580.514
where: short stacking energy: -271.014
Base-Backbone interact. energy: -0.556
local terms energy: -292.760297
where:
bonds (distance) C4'-P energy: -57.861
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -62.435
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: -77.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -834.292865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.292865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.292865 (E_RNA)
where:
Base-Base interactions energy: -580.784
where: short stacking energy: -228.538
Base-Backbone interact. energy: -1.298
local terms energy: -252.211090
where:
bonds (distance) C4'-P energy: -45.767
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -46.138
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: -72.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -798.532268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.532268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.532268 (E_RNA)
where:
Base-Base interactions energy: -541.364
where: short stacking energy: -230.229
Base-Backbone interact. energy: -0.978
local terms energy: -256.189834
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -51.133
flat angles C4'-P-C4' energy: -53.587
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -63.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -730.196170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.196170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.196170 (E_RNA)
where:
Base-Base interactions energy: -488.428
where: short stacking energy: -194.474
Base-Backbone interact. energy: -0.501
local terms energy: -241.266992
where:
bonds (distance) C4'-P energy: -54.915
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -37.089
tors. eta vs tors. theta energy: -57.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -687.996305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.996305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.996305 (E_RNA)
where:
Base-Base interactions energy: -486.727
where: short stacking energy: -190.912
Base-Backbone interact. energy: -0.998
local terms energy: -200.271272
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -32.983
flat angles C4'-P-C4' energy: -50.512
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -49.424
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: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -585.626965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.626965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.626965 (E_RNA)
where:
Base-Base interactions energy: -381.708
where: short stacking energy: -172.530
Base-Backbone interact. energy: 0.944
local terms energy: -204.863869
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -38.199
flat angles P-C4'-P energy: -25.393
tors. eta vs tors. theta energy: -55.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -221.611605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.611605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.611605 (E_RNA)
where:
Base-Base interactions energy: -92.072
where: short stacking energy: -67.989
Base-Backbone interact. energy: -2.301
local terms energy: -127.238920
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: 10.937
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: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -961.253471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.253471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.253471 (E_RNA)
where:
Base-Base interactions energy: -669.127
where: short stacking energy: -284.836
Base-Backbone interact. energy: 2.188
local terms energy: -294.314498
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -86.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -901.348281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.348281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.348281 (E_RNA)
where:
Base-Base interactions energy: -628.439
where: short stacking energy: -260.000
Base-Backbone interact. energy: -0.748
local terms energy: -272.161668
where:
bonds (distance) C4'-P energy: -51.014
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -37.367
tors. eta vs tors. theta energy: -74.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -859.763150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.763150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.763150 (E_RNA)
where:
Base-Base interactions energy: -577.903
where: short stacking energy: -247.327
Base-Backbone interact. energy: 1.245
local terms energy: -283.105303
where:
bonds (distance) C4'-P energy: -59.118
bonds (distance) P-C4' energy: -46.296
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -72.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -866.296176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.296176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.296176 (E_RNA)
where:
Base-Base interactions energy: -590.797
where: short stacking energy: -273.703
Base-Backbone interact. energy: -1.070
local terms energy: -274.429760
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -52.946
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: -74.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -852.340159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.340159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.340159 (E_RNA)
where:
Base-Base interactions energy: -594.758
where: short stacking energy: -262.072
Base-Backbone interact. energy: 1.277
local terms energy: -258.859995
where:
bonds (distance) C4'-P energy: -43.871
bonds (distance) P-C4' energy: -43.783
flat angles C4'-P-C4' energy: -62.003
flat angles P-C4'-P energy: -36.521
tors. eta vs tors. theta energy: -72.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -789.124774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.124774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.124774 (E_RNA)
where:
Base-Base interactions energy: -538.563
where: short stacking energy: -223.241
Base-Backbone interact. energy: 3.408
local terms energy: -253.970209
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -57.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -777.443595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.443595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.443595 (E_RNA)
where:
Base-Base interactions energy: -530.078
where: short stacking energy: -212.295
Base-Backbone interact. energy: -0.191
local terms energy: -247.174212
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -52.745
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -61.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -694.103709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.103709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.103709 (E_RNA)
where:
Base-Base interactions energy: -473.218
where: short stacking energy: -187.152
Base-Backbone interact. energy: -2.170
local terms energy: -218.715470
where:
bonds (distance) C4'-P energy: -42.037
bonds (distance) P-C4' energy: -48.974
flat angles C4'-P-C4' energy: -54.302
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -45.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -576.461171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.461171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.461171 (E_RNA)
where:
Base-Base interactions energy: -350.134
where: short stacking energy: -162.304
Base-Backbone interact. energy: -0.470
local terms energy: -225.857241
where:
bonds (distance) C4'-P energy: -48.435
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -49.692
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -40.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -231.865893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.865893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.865893 (E_RNA)
where:
Base-Base interactions energy: -91.814
where: short stacking energy: -58.294
Base-Backbone interact. energy: 1.631
local terms energy: -141.682307
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -27.925
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -944.904371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.904371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.904371 (E_RNA)
where:
Base-Base interactions energy: -630.823
where: short stacking energy: -272.597
Base-Backbone interact. energy: -1.074
local terms energy: -313.007439
where:
bonds (distance) C4'-P energy: -60.882
bonds (distance) P-C4' energy: -60.749
flat angles C4'-P-C4' energy: -63.001
flat angles P-C4'-P energy: -43.802
tors. eta vs tors. theta energy: -84.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -921.543136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.543136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.543136 (E_RNA)
where:
Base-Base interactions energy: -635.102
where: short stacking energy: -276.831
Base-Backbone interact. energy: -0.602
local terms energy: -285.838544
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -48.626
flat angles C4'-P-C4' energy: -56.685
flat angles P-C4'-P energy: -52.375
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: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -861.208437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.208437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.208437 (E_RNA)
where:
Base-Base interactions energy: -595.900
where: short stacking energy: -245.136
Base-Backbone interact. energy: 0.739
local terms energy: -266.047299
where:
bonds (distance) C4'-P energy: -45.989
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -55.837
flat angles P-C4'-P energy: -40.583
tors. eta vs tors. theta energy: -71.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -862.175316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.175316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.175316 (E_RNA)
where:
Base-Base interactions energy: -596.216
where: short stacking energy: -244.047
Base-Backbone interact. energy: -2.365
local terms energy: -263.593972
where:
bonds (distance) C4'-P energy: -43.809
bonds (distance) P-C4' energy: -53.938
flat angles C4'-P-C4' energy: -58.547
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -73.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -835.123107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.123107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.123107 (E_RNA)
where:
Base-Base interactions energy: -581.401
where: short stacking energy: -250.782
Base-Backbone interact. energy: 0.356
local terms energy: -254.078494
where:
bonds (distance) C4'-P energy: -48.516
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -61.271
flat angles P-C4'-P energy: -34.903
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: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -781.771530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.771530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.771530 (E_RNA)
where:
Base-Base interactions energy: -541.390
where: short stacking energy: -220.068
Base-Backbone interact. energy: 1.406
local terms energy: -241.787088
where:
bonds (distance) C4'-P energy: -37.198
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -53.133
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -62.660
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: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -774.772601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.772601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.772601 (E_RNA)
where:
Base-Base interactions energy: -538.704
where: short stacking energy: -221.450
Base-Backbone interact. energy: -0.820
local terms energy: -235.248316
where:
bonds (distance) C4'-P energy: -38.366
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -63.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -730.279965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.279965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.279965 (E_RNA)
where:
Base-Base interactions energy: -505.408
where: short stacking energy: -208.505
Base-Backbone interact. energy: 0.477
local terms energy: -225.348559
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -45.132
flat angles C4'-P-C4' energy: -46.175
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: -55.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -604.751046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.751046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.751046 (E_RNA)
where:
Base-Base interactions energy: -378.852
where: short stacking energy: -170.923
Base-Backbone interact. energy: -0.693
local terms energy: -225.206275
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -49.926
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -232.880536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.880536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.880536 (E_RNA)
where:
Base-Base interactions energy: -72.492
where: short stacking energy: -62.982
Base-Backbone interact. energy: 1.288
local terms energy: -161.676246
where:
bonds (distance) C4'-P energy: -54.785
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -28.413
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -963.137285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.137285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.137285 (E_RNA)
where:
Base-Base interactions energy: -665.406
where: short stacking energy: -273.013
Base-Backbone interact. energy: 1.136
local terms energy: -298.867575
where:
bonds (distance) C4'-P energy: -54.903
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -89.929
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -911.697330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.697330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.697330 (E_RNA)
where:
Base-Base interactions energy: -630.036
where: short stacking energy: -285.238
Base-Backbone interact. energy: -1.490
local terms energy: -280.171014
where:
bonds (distance) C4'-P energy: -48.772
bonds (distance) P-C4' energy: -54.147
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -80.812
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: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -887.226592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.226592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.226592 (E_RNA)
where:
Base-Base interactions energy: -619.853
where: short stacking energy: -263.771
Base-Backbone interact. energy: -0.763
local terms energy: -266.609946
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -45.307
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -80.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -873.572919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.572919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.572919 (E_RNA)
where:
Base-Base interactions energy: -587.798
where: short stacking energy: -266.539
Base-Backbone interact. energy: -1.144
local terms energy: -284.630373
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -49.693
flat angles C4'-P-C4' energy: -57.411
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -80.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -826.194684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.194684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.194684 (E_RNA)
where:
Base-Base interactions energy: -564.191
where: short stacking energy: -248.012
Base-Backbone interact. energy: -0.768
local terms energy: -261.235555
where:
bonds (distance) C4'-P energy: -41.446
bonds (distance) P-C4' energy: -54.903
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: -71.919
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: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -749.500776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.500776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.500776 (E_RNA)
where:
Base-Base interactions energy: -513.263
where: short stacking energy: -221.277
Base-Backbone interact. energy: -1.111
local terms energy: -235.127079
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -55.614
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -58.300
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: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -742.393822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.393822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.393822 (E_RNA)
where:
Base-Base interactions energy: -506.457
where: short stacking energy: -215.938
Base-Backbone interact. energy: -0.479
local terms energy: -235.457521
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -44.507
flat angles C4'-P-C4' energy: -50.730
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -58.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -739.763046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.763046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.763046 (E_RNA)
where:
Base-Base interactions energy: -519.055
where: short stacking energy: -214.706
Base-Backbone interact. energy: -0.378
local terms energy: -220.329472
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -49.682
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -59.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -567.644498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.644498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.644498 (E_RNA)
where:
Base-Base interactions energy: -362.768
where: short stacking energy: -142.254
Base-Backbone interact. energy: -1.099
local terms energy: -203.777261
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -46.179
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -214.895669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.895669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.895669 (E_RNA)
where:
Base-Base interactions energy: -89.507
where: short stacking energy: -81.945
Base-Backbone interact. energy: -0.373
local terms energy: -125.015614
where:
bonds (distance) C4'-P energy: -30.374
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -31.886
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: 8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -947.993931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.993931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.993931 (E_RNA)
where:
Base-Base interactions energy: -649.460
where: short stacking energy: -270.145
Base-Backbone interact. energy: -1.392
local terms energy: -297.142441
where:
bonds (distance) C4'-P energy: -55.428
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -78.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -916.855582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.855582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.855582 (E_RNA)
where:
Base-Base interactions energy: -633.394
where: short stacking energy: -279.166
Base-Backbone interact. energy: -2.159
local terms energy: -281.301851
where:
bonds (distance) C4'-P energy: -54.343
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -79.130
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -878.233232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.233232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.233232 (E_RNA)
where:
Base-Base interactions energy: -607.302
where: short stacking energy: -249.458
Base-Backbone interact. energy: -0.665
local terms energy: -270.266463
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: -73.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -850.511532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.511532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.511532 (E_RNA)
where:
Base-Base interactions energy: -576.631
where: short stacking energy: -263.945
Base-Backbone interact. energy: -0.474
local terms energy: -273.406575
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -57.084
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -72.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -816.633021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.633021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.633021 (E_RNA)
where:
Base-Base interactions energy: -553.326
where: short stacking energy: -234.942
Base-Backbone interact. energy: 0.244
local terms energy: -263.550615
where:
bonds (distance) C4'-P energy: -53.388
bonds (distance) P-C4' energy: -59.457
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -67.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -762.700494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.700494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.700494 (E_RNA)
where:
Base-Base interactions energy: -521.344
where: short stacking energy: -227.539
Base-Backbone interact. energy: 1.481
local terms energy: -242.837604
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -46.329
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -63.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -733.371823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.371823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.371823 (E_RNA)
where:
Base-Base interactions energy: -518.864
where: short stacking energy: -219.517
Base-Backbone interact. energy: -1.802
local terms energy: -212.705801
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -45.053
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -55.920
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: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -738.009308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.009308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.009308 (E_RNA)
where:
Base-Base interactions energy: -496.788
where: short stacking energy: -228.649
Base-Backbone interact. energy: -0.659
local terms energy: -240.562177
where:
bonds (distance) C4'-P energy: -44.573
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -52.445
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -62.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -574.405376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.405376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.405376 (E_RNA)
where:
Base-Base interactions energy: -365.331
where: short stacking energy: -161.729
Base-Backbone interact. energy: -0.675
local terms energy: -208.399422
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -45.145
flat angles C4'-P-C4' energy: -45.935
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -52.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -237.589200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.589200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.589200 (E_RNA)
where:
Base-Base interactions energy: -101.077
where: short stacking energy: -88.494
Base-Backbone interact. energy: 2.272
local terms energy: -138.784582
where:
bonds (distance) C4'-P energy: -39.389
bonds (distance) P-C4' energy: -50.596
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: 13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -962.496371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.496371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.496371 (E_RNA)
where:
Base-Base interactions energy: -660.605
where: short stacking energy: -285.908
Base-Backbone interact. energy: -1.502
local terms energy: -300.388980
where:
bonds (distance) C4'-P energy: -55.993
bonds (distance) P-C4' energy: -55.152
flat angles C4'-P-C4' energy: -65.081
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: -85.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -927.844769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.844769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.844769 (E_RNA)
where:
Base-Base interactions energy: -652.358
where: short stacking energy: -273.791
Base-Backbone interact. energy: 1.064
local terms energy: -276.550563
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -51.379
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -82.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -867.393049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.393049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.393049 (E_RNA)
where:
Base-Base interactions energy: -595.080
where: short stacking energy: -257.750
Base-Backbone interact. energy: -0.115
local terms energy: -272.198254
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -42.397
tors. eta vs tors. theta energy: -74.261
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: 124
Temperature: 1.050000
Total energy: -845.152006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.152006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.152006 (E_RNA)
where:
Base-Base interactions energy: -573.148
where: short stacking energy: -244.320
Base-Backbone interact. energy: -0.555
local terms energy: -271.448436
where:
bonds (distance) C4'-P energy: -47.478
bonds (distance) P-C4' energy: -56.406
flat angles C4'-P-C4' energy: -61.294
flat angles P-C4'-P energy: -48.284
tors. eta vs tors. theta energy: -57.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -804.300485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.300485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.300485 (E_RNA)
where:
Base-Base interactions energy: -545.415
where: short stacking energy: -236.048
Base-Backbone interact. energy: -0.800
local terms energy: -258.085895
where:
bonds (distance) C4'-P energy: -44.856
bonds (distance) P-C4' energy: -58.287
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -59.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -780.181696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.181696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.181696 (E_RNA)
where:
Base-Base interactions energy: -535.627
where: short stacking energy: -234.544
Base-Backbone interact. energy: 0.035
local terms energy: -244.589831
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -47.264
flat angles C4'-P-C4' energy: -59.443
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -64.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -772.644540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.644540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.644540 (E_RNA)
where:
Base-Base interactions energy: -546.920
where: short stacking energy: -224.635
Base-Backbone interact. energy: -0.485
local terms energy: -225.239553
where:
bonds (distance) C4'-P energy: -42.099
bonds (distance) P-C4' energy: -58.024
flat angles C4'-P-C4' energy: -40.982
flat angles P-C4'-P energy: -28.342
tors. eta vs tors. theta energy: -55.793
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: 124
Temperature: 1.250000
Total energy: -705.092755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.092755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.092755 (E_RNA)
where:
Base-Base interactions energy: -476.483
where: short stacking energy: -201.924
Base-Backbone interact. energy: 0.958
local terms energy: -229.567360
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -47.699
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -52.588
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: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -598.781610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.781610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.781610 (E_RNA)
where:
Base-Base interactions energy: -380.997
where: short stacking energy: -184.936
Base-Backbone interact. energy: -0.279
local terms energy: -217.505208
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -42.459
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -29.171
tors. eta vs tors. theta energy: -53.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -233.345423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.345423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.345423 (E_RNA)
where:
Base-Base interactions energy: -90.889
where: short stacking energy: -76.800
Base-Backbone interact. energy: 0.417
local terms energy: -142.873313
where:
bonds (distance) C4'-P energy: -48.333
bonds (distance) P-C4' energy: -44.527
flat angles C4'-P-C4' energy: -34.708
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: 5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -947.501521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.501521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.501521 (E_RNA)
where:
Base-Base interactions energy: -653.237
where: short stacking energy: -284.254
Base-Backbone interact. energy: -0.941
local terms energy: -293.323169
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -58.471
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -83.709
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: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -944.313576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.313576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.313576 (E_RNA)
where:
Base-Base interactions energy: -650.479
where: short stacking energy: -272.290
Base-Backbone interact. energy: 1.449
local terms energy: -295.283563
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -60.786
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -81.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -875.878043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.878043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.878043 (E_RNA)
where:
Base-Base interactions energy: -587.912
where: short stacking energy: -251.158
Base-Backbone interact. energy: 0.127
local terms energy: -288.093271
where:
bonds (distance) C4'-P energy: -54.329
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -36.883
tors. eta vs tors. theta energy: -76.458
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -838.546740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.546740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.546740 (E_RNA)
where:
Base-Base interactions energy: -567.820
where: short stacking energy: -247.242
Base-Backbone interact. energy: 0.103
local terms energy: -270.829583
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -52.843
flat angles C4'-P-C4' energy: -58.358
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -66.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -806.061778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.061778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.061778 (E_RNA)
where:
Base-Base interactions energy: -557.803
where: short stacking energy: -233.151
Base-Backbone interact. energy: -0.749
local terms energy: -247.508825
where:
bonds (distance) C4'-P energy: -45.616
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -48.957
flat angles P-C4'-P energy: -43.648
tors. eta vs tors. theta energy: -55.357
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -775.161036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.161036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.161036 (E_RNA)
where:
Base-Base interactions energy: -540.477
where: short stacking energy: -230.404
Base-Backbone interact. energy: 0.157
local terms energy: -234.841238
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -59.781
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: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -770.403409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.403409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.403409 (E_RNA)
where:
Base-Base interactions energy: -506.007
where: short stacking energy: -221.503
Base-Backbone interact. energy: -0.742
local terms energy: -263.654506
where:
bonds (distance) C4'-P energy: -49.161
bonds (distance) P-C4' energy: -55.806
flat angles C4'-P-C4' energy: -53.123
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -65.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -681.196483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.196483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.196483 (E_RNA)
where:
Base-Base interactions energy: -473.629
where: short stacking energy: -200.301
Base-Backbone interact. energy: 2.009
local terms energy: -209.576279
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -32.224
tors. eta vs tors. theta energy: -49.634
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: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -607.425016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.425016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.425016 (E_RNA)
where:
Base-Base interactions energy: -406.637
where: short stacking energy: -181.058
Base-Backbone interact. energy: -1.913
local terms energy: -198.874979
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -43.539
flat angles C4'-P-C4' energy: -53.500
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -55.080
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: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -211.931429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.931429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.931429 (E_RNA)
where:
Base-Base interactions energy: -71.454
where: short stacking energy: -53.908
Base-Backbone interact. energy: 0.379
local terms energy: -140.856257
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -39.872
flat angles C4'-P-C4' energy: -38.124
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: 11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -954.716676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.716676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.716676 (E_RNA)
where:
Base-Base interactions energy: -667.173
where: short stacking energy: -291.723
Base-Backbone interact. energy: 1.373
local terms energy: -288.917198
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -44.713
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: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -943.045603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.045603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.045603 (E_RNA)
where:
Base-Base interactions energy: -646.288
where: short stacking energy: -277.205
Base-Backbone interact. energy: 0.837
local terms energy: -297.594679
where:
bonds (distance) C4'-P energy: -53.294
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -39.986
tors. eta vs tors. theta energy: -84.919
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: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -885.273314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.273314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.273314 (E_RNA)
where:
Base-Base interactions energy: -610.402
where: short stacking energy: -266.137
Base-Backbone interact. energy: -0.357
local terms energy: -274.514638
where:
bonds (distance) C4'-P energy: -52.059
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -59.025
flat angles P-C4'-P energy: -34.420
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: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -837.703515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.703515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.703515 (E_RNA)
where:
Base-Base interactions energy: -578.478
where: short stacking energy: -265.583
Base-Backbone interact. energy: -1.268
local terms energy: -257.957469
where:
bonds (distance) C4'-P energy: -35.273
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -60.745
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -73.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -804.271236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.271236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.271236 (E_RNA)
where:
Base-Base interactions energy: -545.873
where: short stacking energy: -230.332
Base-Backbone interact. energy: 0.009
local terms energy: -258.407208
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -42.992
flat angles C4'-P-C4' energy: -60.445
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -65.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -765.487429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.487429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.487429 (E_RNA)
where:
Base-Base interactions energy: -524.316
where: short stacking energy: -202.847
Base-Backbone interact. energy: -1.323
local terms energy: -239.849181
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -50.587
flat angles C4'-P-C4' energy: -53.097
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -754.266349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.266349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.266349 (E_RNA)
where:
Base-Base interactions energy: -520.166
where: short stacking energy: -216.529
Base-Backbone interact. energy: 2.322
local terms energy: -236.422909
where:
bonds (distance) C4'-P energy: -46.845
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -62.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -726.459660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.459660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.459660 (E_RNA)
where:
Base-Base interactions energy: -497.766
where: short stacking energy: -217.469
Base-Backbone interact. energy: -0.554
local terms energy: -228.139394
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -51.233
flat angles C4'-P-C4' energy: -45.144
flat angles P-C4'-P energy: -27.599
tors. eta vs tors. theta energy: -61.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -623.672902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.672902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.672902 (E_RNA)
where:
Base-Base interactions energy: -389.876
where: short stacking energy: -188.662
Base-Backbone interact. energy: -0.434
local terms energy: -233.363142
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -49.008
flat angles C4'-P-C4' energy: -46.166
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -60.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -230.233376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.233376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.233376 (E_RNA)
where:
Base-Base interactions energy: -81.205
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.776
local terms energy: -148.252103
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: 10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -956.904048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.904048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.904048 (E_RNA)
where:
Base-Base interactions energy: -665.642
where: short stacking energy: -281.902
Base-Backbone interact. energy: -1.109
local terms energy: -290.153048
where:
bonds (distance) C4'-P energy: -45.895
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -64.323
flat angles P-C4'-P energy: -48.327
tors. eta vs tors. theta energy: -79.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -945.154988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.154988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.154988 (E_RNA)
where:
Base-Base interactions energy: -654.847
where: short stacking energy: -269.964
Base-Backbone interact. energy: -1.612
local terms energy: -288.696126
where:
bonds (distance) C4'-P energy: -55.042
bonds (distance) P-C4' energy: -51.633
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -82.109
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: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -865.160829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.160829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.160829 (E_RNA)
where:
Base-Base interactions energy: -591.718
where: short stacking energy: -253.608
Base-Backbone interact. energy: -0.680
local terms energy: -272.763318
where:
bonds (distance) C4'-P energy: -48.934
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -60.067
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -75.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -834.935411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.935411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.935411 (E_RNA)
where:
Base-Base interactions energy: -568.665
where: short stacking energy: -239.784
Base-Backbone interact. energy: -0.351
local terms energy: -265.919276
where:
bonds (distance) C4'-P energy: -53.420
bonds (distance) P-C4' energy: -53.453
flat angles C4'-P-C4' energy: -52.598
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -66.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -814.760236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.760236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.760236 (E_RNA)
where:
Base-Base interactions energy: -562.360
where: short stacking energy: -252.673
Base-Backbone interact. energy: 0.000
local terms energy: -252.400754
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -43.258
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -69.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -788.486377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.486377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.486377 (E_RNA)
where:
Base-Base interactions energy: -542.840
where: short stacking energy: -227.681
Base-Backbone interact. energy: -0.926
local terms energy: -244.720793
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -56.755
flat angles C4'-P-C4' energy: -50.169
flat angles P-C4'-P energy: -38.343
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -711.088545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.088545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.088545 (E_RNA)
where:
Base-Base interactions energy: -469.448
where: short stacking energy: -184.761
Base-Backbone interact. energy: -0.853
local terms energy: -240.787921
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -52.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -736.009130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.009130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.009130 (E_RNA)
where:
Base-Base interactions energy: -503.238
where: short stacking energy: -216.130
Base-Backbone interact. energy: -1.444
local terms energy: -231.327081
where:
bonds (distance) C4'-P energy: -51.372
bonds (distance) P-C4' energy: -45.062
flat angles C4'-P-C4' energy: -54.975
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -49.657
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: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -583.579687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.579687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.579687 (E_RNA)
where:
Base-Base interactions energy: -376.962
where: short stacking energy: -172.075
Base-Backbone interact. energy: -1.190
local terms energy: -205.427355
where:
bonds (distance) C4'-P energy: -42.966
bonds (distance) P-C4' energy: -45.833
flat angles C4'-P-C4' energy: -41.097
flat angles P-C4'-P energy: -31.712
tors. eta vs tors. theta energy: -43.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -215.849679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.849679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.849679 (E_RNA)
where:
Base-Base interactions energy: -71.262
where: short stacking energy: -68.233
Base-Backbone interact. energy: 0.317
local terms energy: -144.904553
where:
bonds (distance) C4'-P energy: -41.681
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: 8.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -957.167384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.167384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.167384 (E_RNA)
where:
Base-Base interactions energy: -661.280
where: short stacking energy: -288.532
Base-Backbone interact. energy: -1.249
local terms energy: -294.638639
where:
bonds (distance) C4'-P energy: -50.726
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -48.554
tors. eta vs tors. theta energy: -84.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -938.497903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.497903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.497903 (E_RNA)
where:
Base-Base interactions energy: -650.209
where: short stacking energy: -276.075
Base-Backbone interact. energy: -0.879
local terms energy: -287.409853
where:
bonds (distance) C4'-P energy: -45.770
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -85.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -882.008591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.008591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.008591 (E_RNA)
where:
Base-Base interactions energy: -593.606
where: short stacking energy: -253.550
Base-Backbone interact. energy: -0.839
local terms energy: -287.563163
where:
bonds (distance) C4'-P energy: -48.524
bonds (distance) P-C4' energy: -49.749
flat angles C4'-P-C4' energy: -66.693
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -79.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -845.718706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.718706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.718706 (E_RNA)
where:
Base-Base interactions energy: -575.733
where: short stacking energy: -255.170
Base-Backbone interact. energy: -1.228
local terms energy: -268.757492
where:
bonds (distance) C4'-P energy: -46.038
bonds (distance) P-C4' energy: -57.739
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -75.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -814.953577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.953577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.953577 (E_RNA)
where:
Base-Base interactions energy: -558.926
where: short stacking energy: -226.548
Base-Backbone interact. energy: -1.672
local terms energy: -254.356483
where:
bonds (distance) C4'-P energy: -55.039
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -40.018
tors. eta vs tors. theta energy: -56.120
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: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -793.015953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.015953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.015953 (E_RNA)
where:
Base-Base interactions energy: -554.260
where: short stacking energy: -228.091
Base-Backbone interact. energy: -1.413
local terms energy: -237.342327
where:
bonds (distance) C4'-P energy: -40.687
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -49.103
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -65.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -762.306779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.306779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.306779 (E_RNA)
where:
Base-Base interactions energy: -527.873
where: short stacking energy: -230.433
Base-Backbone interact. energy: -0.295
local terms energy: -234.138541
where:
bonds (distance) C4'-P energy: -42.438
bonds (distance) P-C4' energy: -45.662
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -63.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -704.553643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.553643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.553643 (E_RNA)
where:
Base-Base interactions energy: -485.148
where: short stacking energy: -198.956
Base-Backbone interact. energy: -0.499
local terms energy: -218.907016
where:
bonds (distance) C4'-P energy: -49.380
bonds (distance) P-C4' energy: -42.325
flat angles C4'-P-C4' energy: -48.014
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: -46.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -538.058232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.058232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.058232 (E_RNA)
where:
Base-Base interactions energy: -342.801
where: short stacking energy: -155.515
Base-Backbone interact. energy: -0.722
local terms energy: -194.535134
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -44.298
flat angles C4'-P-C4' energy: -47.772
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -37.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -217.769658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.769658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.769658 (E_RNA)
where:
Base-Base interactions energy: -100.503
where: short stacking energy: -70.805
Base-Backbone interact. energy: 0.480
local terms energy: -117.747128
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -39.655
flat angles C4'-P-C4' energy: -45.931
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: 18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -977.416975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.416975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.416975 (E_RNA)
where:
Base-Base interactions energy: -674.491
where: short stacking energy: -290.636
Base-Backbone interact. energy: -1.167
local terms energy: -301.758384
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -64.532
flat angles P-C4'-P energy: -45.283
tors. eta vs tors. theta energy: -88.067
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: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -941.156591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.156591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.156591 (E_RNA)
where:
Base-Base interactions energy: -640.782
where: short stacking energy: -251.341
Base-Backbone interact. energy: -1.049
local terms energy: -299.325445
where:
bonds (distance) C4'-P energy: -60.920
bonds (distance) P-C4' energy: -52.223
flat angles C4'-P-C4' energy: -59.838
flat angles P-C4'-P energy: -44.682
tors. eta vs tors. theta energy: -81.663
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: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -851.031858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.031858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.031858 (E_RNA)
where:
Base-Base interactions energy: -586.506
where: short stacking energy: -267.463
Base-Backbone interact. energy: 1.566
local terms energy: -266.091545
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -59.423
flat angles C4'-P-C4' energy: -51.142
flat angles P-C4'-P energy: -34.878
tors. eta vs tors. theta energy: -68.766
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -847.015647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.015647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.015647 (E_RNA)
where:
Base-Base interactions energy: -576.513
where: short stacking energy: -253.380
Base-Backbone interact. energy: -0.420
local terms energy: -270.082459
where:
bonds (distance) C4'-P energy: -44.346
bonds (distance) P-C4' energy: -51.133
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -38.980
tors. eta vs tors. theta energy: -76.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -810.324009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.324009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.324009 (E_RNA)
where:
Base-Base interactions energy: -531.828
where: short stacking energy: -227.163
Base-Backbone interact. energy: -1.486
local terms energy: -277.009204
where:
bonds (distance) C4'-P energy: -57.866
bonds (distance) P-C4' energy: -58.358
flat angles C4'-P-C4' energy: -61.507
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -61.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -778.126451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.126451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.126451 (E_RNA)
where:
Base-Base interactions energy: -514.296
where: short stacking energy: -234.379
Base-Backbone interact. energy: -1.005
local terms energy: -262.825877
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -50.315
flat angles C4'-P-C4' energy: -52.463
flat angles P-C4'-P energy: -42.054
tors. eta vs tors. theta energy: -62.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -794.969063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.969063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.969063 (E_RNA)
where:
Base-Base interactions energy: -548.598
where: short stacking energy: -234.301
Base-Backbone interact. energy: -0.558
local terms energy: -245.812699
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -57.931
flat angles P-C4'-P energy: -32.770
tors. eta vs tors. theta energy: -62.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -679.627256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.627256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.627256 (E_RNA)
where:
Base-Base interactions energy: -486.414
where: short stacking energy: -206.697
Base-Backbone interact. energy: -1.498
local terms energy: -191.715521
where:
bonds (distance) C4'-P energy: -33.246
bonds (distance) P-C4' energy: -45.318
flat angles C4'-P-C4' energy: -33.033
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -48.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -525.135572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.135572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.135572 (E_RNA)
where:
Base-Base interactions energy: -337.316
where: short stacking energy: -146.306
Base-Backbone interact. energy: -0.972
local terms energy: -186.847479
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -40.361
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -27.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -227.874559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.874559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.874559 (E_RNA)
where:
Base-Base interactions energy: -70.085
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.711
local terms energy: -157.078170
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -43.193
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: 0.872
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: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -969.645302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.645302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.645302 (E_RNA)
where:
Base-Base interactions energy: -673.034
where: short stacking energy: -297.612
Base-Backbone interact. energy: -1.192
local terms energy: -295.419544
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -56.688
flat angles C4'-P-C4' energy: -63.514
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -87.131
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: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -931.754815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.754815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.754815 (E_RNA)
where:
Base-Base interactions energy: -658.510
where: short stacking energy: -276.501
Base-Backbone interact. energy: 1.671
local terms energy: -274.915274
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -52.033
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -85.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -853.803772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.803772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.803772 (E_RNA)
where:
Base-Base interactions energy: -576.637
where: short stacking energy: -253.341
Base-Backbone interact. energy: -0.490
local terms energy: -276.676050
where:
bonds (distance) C4'-P energy: -55.606
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -56.378
flat angles P-C4'-P energy: -40.712
tors. eta vs tors. theta energy: -74.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -848.205922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.205922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.205922 (E_RNA)
where:
Base-Base interactions energy: -583.220
where: short stacking energy: -243.655
Base-Backbone interact. energy: -0.732
local terms energy: -264.253399
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -59.983
flat angles P-C4'-P energy: -34.868
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: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -786.127783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.127783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.127783 (E_RNA)
where:
Base-Base interactions energy: -542.606
where: short stacking energy: -234.849
Base-Backbone interact. energy: 0.607
local terms energy: -244.128985
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -65.081
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: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -791.021616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.021616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.021616 (E_RNA)
where:
Base-Base interactions energy: -539.973
where: short stacking energy: -220.287
Base-Backbone interact. energy: -0.456
local terms energy: -250.592549
where:
bonds (distance) C4'-P energy: -44.522
bonds (distance) P-C4' energy: -53.027
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -58.881
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: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -769.884414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.884414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.884414 (E_RNA)
where:
Base-Base interactions energy: -529.809
where: short stacking energy: -232.652
Base-Backbone interact. energy: -0.521
local terms energy: -239.554618
where:
bonds (distance) C4'-P energy: -44.418
bonds (distance) P-C4' energy: -42.085
flat angles C4'-P-C4' energy: -60.930
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -60.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -695.440849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.440849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.440849 (E_RNA)
where:
Base-Base interactions energy: -479.593
where: short stacking energy: -191.503
Base-Backbone interact. energy: -1.447
local terms energy: -214.400400
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -40.864
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -49.854
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: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -517.337227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.337227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.337227 (E_RNA)
where:
Base-Base interactions energy: -310.616
where: short stacking energy: -150.789
Base-Backbone interact. energy: 0.654
local terms energy: -207.375278
where:
bonds (distance) C4'-P energy: -36.699
bonds (distance) P-C4' energy: -44.740
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -32.081
tors. eta vs tors. theta energy: -38.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -220.645017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645017 (E_RNA)
where:
Base-Base interactions energy: -73.851
where: short stacking energy: -67.810
Base-Backbone interact. energy: -0.394
local terms energy: -146.400031
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -47.828
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: 1.263
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: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -977.870347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.870347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.870347 (E_RNA)
where:
Base-Base interactions energy: -676.735
where: short stacking energy: -291.649
Base-Backbone interact. energy: -1.644
local terms energy: -299.491977
where:
bonds (distance) C4'-P energy: -52.102
bonds (distance) P-C4' energy: -56.940
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -42.417
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: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -927.587274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.587274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.587274 (E_RNA)
where:
Base-Base interactions energy: -642.567
where: short stacking energy: -277.728
Base-Backbone interact. energy: 0.240
local terms energy: -285.260461
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -53.305
flat angles C4'-P-C4' energy: -62.512
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: -81.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -865.701457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.701457 (E_RNA)
where:
Base-Base interactions energy: -592.637
where: short stacking energy: -265.965
Base-Backbone interact. energy: -0.529
local terms energy: -272.535898
where:
bonds (distance) C4'-P energy: -45.804
bonds (distance) P-C4' energy: -49.749
flat angles C4'-P-C4' energy: -63.249
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -73.457
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -841.331156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.331156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.331156 (E_RNA)
where:
Base-Base interactions energy: -586.643
where: short stacking energy: -248.203
Base-Backbone interact. energy: 2.645
local terms energy: -257.332926
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -48.896
flat angles C4'-P-C4' energy: -49.042
flat angles P-C4'-P energy: -39.670
tors. eta vs tors. theta energy: -71.518
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: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -785.120214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.120214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.120214 (E_RNA)
where:
Base-Base interactions energy: -547.768
where: short stacking energy: -240.003
Base-Backbone interact. energy: -1.019
local terms energy: -236.333735
where:
bonds (distance) C4'-P energy: -48.028
bonds (distance) P-C4' energy: -46.378
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -59.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -780.793804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.793804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.793804 (E_RNA)
where:
Base-Base interactions energy: -547.571
where: short stacking energy: -225.237
Base-Backbone interact. energy: -0.509
local terms energy: -232.713105
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -47.199
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -59.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -775.372870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.372870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.372870 (E_RNA)
where:
Base-Base interactions energy: -525.096
where: short stacking energy: -229.795
Base-Backbone interact. energy: -1.026
local terms energy: -249.250720
where:
bonds (distance) C4'-P energy: -56.594
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -61.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -740.776457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.776457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.776457 (E_RNA)
where:
Base-Base interactions energy: -530.428
where: short stacking energy: -211.054
Base-Backbone interact. energy: -1.803
local terms energy: -208.545369
where:
bonds (distance) C4'-P energy: -32.734
bonds (distance) P-C4' energy: -43.734
flat angles C4'-P-C4' energy: -48.137
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -57.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -552.576634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.576634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.576634 (E_RNA)
where:
Base-Base interactions energy: -351.799
where: short stacking energy: -153.103
Base-Backbone interact. energy: -1.404
local terms energy: -199.374250
where:
bonds (distance) C4'-P energy: -41.360
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -35.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -231.376566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.376566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.376566 (E_RNA)
where:
Base-Base interactions energy: -74.360
where: short stacking energy: -65.445
Base-Backbone interact. energy: -0.554
local terms energy: -156.462573
where:
bonds (distance) C4'-P energy: -42.650
bonds (distance) P-C4' energy: -50.785
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: 2.763
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: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -979.494225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.494225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.494225 (E_RNA)
where:
Base-Base interactions energy: -671.950
where: short stacking energy: -288.900
Base-Backbone interact. energy: -1.251
local terms energy: -306.292474
where:
bonds (distance) C4'-P energy: -61.249
bonds (distance) P-C4' energy: -59.152
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -83.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -920.123320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.123320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.123320 (E_RNA)
where:
Base-Base interactions energy: -633.086
where: short stacking energy: -265.976
Base-Backbone interact. energy: -0.948
local terms energy: -286.089142
where:
bonds (distance) C4'-P energy: -52.966
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -60.806
flat angles P-C4'-P energy: -45.228
tors. eta vs tors. theta energy: -75.454
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: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -862.535395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.535395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.535395 (E_RNA)
where:
Base-Base interactions energy: -596.812
where: short stacking energy: -267.990
Base-Backbone interact. energy: 3.829
local terms energy: -269.552315
where:
bonds (distance) C4'-P energy: -49.530
bonds (distance) P-C4' energy: -48.780
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -73.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -844.219390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.219390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.219390 (E_RNA)
where:
Base-Base interactions energy: -581.245
where: short stacking energy: -250.505
Base-Backbone interact. energy: -1.360
local terms energy: -261.613424
where:
bonds (distance) C4'-P energy: -56.756
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -55.540
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -74.441
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: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -795.466606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.466606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.466606 (E_RNA)
where:
Base-Base interactions energy: -532.584
where: short stacking energy: -227.565
Base-Backbone interact. energy: -1.043
local terms energy: -261.839345
where:
bonds (distance) C4'-P energy: -54.028
bonds (distance) P-C4' energy: -52.913
flat angles C4'-P-C4' energy: -55.415
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -58.390
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: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -782.028377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.028377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.028377 (E_RNA)
where:
Base-Base interactions energy: -548.872
where: short stacking energy: -231.199
Base-Backbone interact. energy: 0.973
local terms energy: -234.129983
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -48.932
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -58.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -740.926372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.926372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.926372 (E_RNA)
where:
Base-Base interactions energy: -487.462
where: short stacking energy: -203.728
Base-Backbone interact. energy: -1.003
local terms energy: -252.461190
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -48.044
flat angles C4'-P-C4' energy: -51.833
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -63.511
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: 132
Temperature: 1.250000
Total energy: -760.806347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.806347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.806347 (E_RNA)
where:
Base-Base interactions energy: -523.097
where: short stacking energy: -218.448
Base-Backbone interact. energy: 0.559
local terms energy: -238.268781
where:
bonds (distance) C4'-P energy: -49.659
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -49.782
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -60.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -536.427284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.427284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.427284 (E_RNA)
where:
Base-Base interactions energy: -351.285
where: short stacking energy: -166.881
Base-Backbone interact. energy: -0.593
local terms energy: -184.550049
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -39.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -239.111898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.111898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.111898 (E_RNA)
where:
Base-Base interactions energy: -99.272
where: short stacking energy: -88.165
Base-Backbone interact. energy: -0.125
local terms energy: -139.714555
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -35.081
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -953.744845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.744845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.744845 (E_RNA)
where:
Base-Base interactions energy: -661.164
where: short stacking energy: -281.077
Base-Backbone interact. energy: -1.105
local terms energy: -291.475475
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -58.778
flat angles C4'-P-C4' energy: -57.704
flat angles P-C4'-P energy: -41.410
tors. eta vs tors. theta energy: -82.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -924.286090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.286090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.286090 (E_RNA)
where:
Base-Base interactions energy: -656.282
where: short stacking energy: -257.417
Base-Backbone interact. energy: -1.393
local terms energy: -266.610830
where:
bonds (distance) C4'-P energy: -51.644
bonds (distance) P-C4' energy: -49.684
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -75.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -863.899405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.899405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.899405 (E_RNA)
where:
Base-Base interactions energy: -590.240
where: short stacking energy: -265.496
Base-Backbone interact. energy: -0.892
local terms energy: -272.767095
where:
bonds (distance) C4'-P energy: -56.581
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -56.042
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -75.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -860.999705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.999705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.999705 (E_RNA)
where:
Base-Base interactions energy: -583.915
where: short stacking energy: -270.970
Base-Backbone interact. energy: -0.322
local terms energy: -276.762359
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -80.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -775.968247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.968247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.968247 (E_RNA)
where:
Base-Base interactions energy: -522.201
where: short stacking energy: -225.381
Base-Backbone interact. energy: 0.007
local terms energy: -253.774062
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -37.757
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: -63.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -770.836885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.836885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.836885 (E_RNA)
where:
Base-Base interactions energy: -537.049
where: short stacking energy: -229.065
Base-Backbone interact. energy: -0.038
local terms energy: -233.750093
where:
bonds (distance) C4'-P energy: -42.084
bonds (distance) P-C4' energy: -49.902
flat angles C4'-P-C4' energy: -53.132
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -64.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -737.021622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.021622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.021622 (E_RNA)
where:
Base-Base interactions energy: -511.616
where: short stacking energy: -211.309
Base-Backbone interact. energy: 2.125
local terms energy: -227.530806
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -44.829
flat angles C4'-P-C4' energy: -49.578
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -57.303
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: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -761.261152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.261152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.261152 (E_RNA)
where:
Base-Base interactions energy: -536.946
where: short stacking energy: -226.339
Base-Backbone interact. energy: 0.319
local terms energy: -224.633860
where:
bonds (distance) C4'-P energy: -46.189
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -60.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -464.020014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.020014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.020014 (E_RNA)
where:
Base-Base interactions energy: -280.618
where: short stacking energy: -128.356
Base-Backbone interact. energy: -1.511
local terms energy: -181.891006
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -40.510
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -232.473691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.473691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.473691 (E_RNA)
where:
Base-Base interactions energy: -91.077
where: short stacking energy: -82.720
Base-Backbone interact. energy: 0.594
local terms energy: -141.991087
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -5.951
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: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -971.942671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.942671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.942671 (E_RNA)
where:
Base-Base interactions energy: -678.626
where: short stacking energy: -299.785
Base-Backbone interact. energy: 0.550
local terms energy: -293.866587
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -43.395
tors. eta vs tors. theta energy: -91.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -900.685690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.685690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.685690 (E_RNA)
where:
Base-Base interactions energy: -615.909
where: short stacking energy: -254.745
Base-Backbone interact. energy: -1.141
local terms energy: -283.635532
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -57.319
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -42.794
tors. eta vs tors. theta energy: -74.534
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: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -877.016505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.016505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.016505 (E_RNA)
where:
Base-Base interactions energy: -597.329
where: short stacking energy: -257.872
Base-Backbone interact. energy: -0.055
local terms energy: -279.632988
where:
bonds (distance) C4'-P energy: -47.885
bonds (distance) P-C4' energy: -56.849
flat angles C4'-P-C4' energy: -53.860
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -78.432
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: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -841.115698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.115698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.115698 (E_RNA)
where:
Base-Base interactions energy: -582.881
where: short stacking energy: -242.903
Base-Backbone interact. energy: -0.286
local terms energy: -257.948682
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -46.945
flat angles C4'-P-C4' energy: -57.561
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -67.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -799.765214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.765214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.765214 (E_RNA)
where:
Base-Base interactions energy: -555.675
where: short stacking energy: -230.079
Base-Backbone interact. energy: -1.280
local terms energy: -242.810012
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -52.571
flat angles C4'-P-C4' energy: -46.789
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: -56.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -757.305512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.305512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.305512 (E_RNA)
where:
Base-Base interactions energy: -519.159
where: short stacking energy: -215.218
Base-Backbone interact. energy: -1.280
local terms energy: -236.866074
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -51.974
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -56.898
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: 134
Temperature: 1.200000
Total energy: -742.024367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.024367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.024367 (E_RNA)
where:
Base-Base interactions energy: -496.539
where: short stacking energy: -217.116
Base-Backbone interact. energy: 0.442
local terms energy: -245.927395
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -46.190
flat angles C4'-P-C4' energy: -57.665
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -58.394
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: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -712.000272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.000272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.000272 (E_RNA)
where:
Base-Base interactions energy: -488.834
where: short stacking energy: -203.746
Base-Backbone interact. energy: -1.798
local terms energy: -221.368173
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -38.605
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -55.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -510.922742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.922742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.922742 (E_RNA)
where:
Base-Base interactions energy: -298.914
where: short stacking energy: -156.371
Base-Backbone interact. energy: -1.073
local terms energy: -210.935658
where:
bonds (distance) C4'-P energy: -50.000
bonds (distance) P-C4' energy: -53.730
flat angles C4'-P-C4' energy: -48.870
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -34.949
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: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -228.505573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.505573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.505573 (E_RNA)
where:
Base-Base interactions energy: -66.686
where: short stacking energy: -56.892
Base-Backbone interact. energy: -0.513
local terms energy: -161.306132
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -3.592
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -970.207940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.207940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.207940 (E_RNA)
where:
Base-Base interactions energy: -673.000
where: short stacking energy: -301.532
Base-Backbone interact. energy: -0.811
local terms energy: -296.397596
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -55.532
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -35.608
tors. eta vs tors. theta energy: -90.066
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: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -885.703035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.703035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.703035 (E_RNA)
where:
Base-Base interactions energy: -608.406
where: short stacking energy: -266.031
Base-Backbone interact. energy: 1.190
local terms energy: -278.487191
where:
bonds (distance) C4'-P energy: -49.696
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -58.344
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -77.335
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: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -894.103637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.103637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.103637 (E_RNA)
where:
Base-Base interactions energy: -629.555
where: short stacking energy: -266.585
Base-Backbone interact. energy: 0.255
local terms energy: -264.803246
where:
bonds (distance) C4'-P energy: -49.867
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -61.968
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -77.484
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -850.277057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.277057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.277057 (E_RNA)
where:
Base-Base interactions energy: -577.863
where: short stacking energy: -263.126
Base-Backbone interact. energy: -0.632
local terms energy: -271.782872
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -59.175
flat angles C4'-P-C4' energy: -50.370
flat angles P-C4'-P energy: -32.889
tors. eta vs tors. theta energy: -77.332
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: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -783.082976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.082976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.082976 (E_RNA)
where:
Base-Base interactions energy: -541.349
where: short stacking energy: -234.196
Base-Backbone interact. energy: 1.530
local terms energy: -243.263343
where:
bonds (distance) C4'-P energy: -41.388
bonds (distance) P-C4' energy: -43.737
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -44.859
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: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -783.342324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.342324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.342324 (E_RNA)
where:
Base-Base interactions energy: -540.092
where: short stacking energy: -238.067
Base-Backbone interact. energy: 0.953
local terms energy: -244.203133
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -60.153
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: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -734.642443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.642443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.642443 (E_RNA)
where:
Base-Base interactions energy: -502.237
where: short stacking energy: -215.526
Base-Backbone interact. energy: -0.300
local terms energy: -232.105523
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -37.970
flat angles C4'-P-C4' energy: -54.837
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -57.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -698.749050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.749050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.749050 (E_RNA)
where:
Base-Base interactions energy: -472.018
where: short stacking energy: -204.316
Base-Backbone interact. energy: 4.066
local terms energy: -230.797838
where:
bonds (distance) C4'-P energy: -55.257
bonds (distance) P-C4' energy: -43.454
flat angles C4'-P-C4' energy: -41.520
flat angles P-C4'-P energy: -41.077
tors. eta vs tors. theta energy: -49.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -551.386892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.386892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.386892 (E_RNA)
where:
Base-Base interactions energy: -354.305
where: short stacking energy: -154.668
Base-Backbone interact. energy: 0.791
local terms energy: -197.872700
where:
bonds (distance) C4'-P energy: -43.090
bonds (distance) P-C4' energy: -52.471
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -40.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -246.128622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.128622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.128622 (E_RNA)
where:
Base-Base interactions energy: -86.526
where: short stacking energy: -72.726
Base-Backbone interact. energy: 1.742
local terms energy: -161.345207
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -43.973
flat angles C4'-P-C4' energy: -46.190
flat angles P-C4'-P energy: -17.193
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: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -962.462537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.462537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.462537 (E_RNA)
where:
Base-Base interactions energy: -655.847
where: short stacking energy: -285.341
Base-Backbone interact. energy: -0.748
local terms energy: -305.867350
where:
bonds (distance) C4'-P energy: -52.004
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -66.214
flat angles P-C4'-P energy: -48.705
tors. eta vs tors. theta energy: -88.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -900.789365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.789365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.789365 (E_RNA)
where:
Base-Base interactions energy: -616.443
where: short stacking energy: -277.345
Base-Backbone interact. energy: 0.645
local terms energy: -284.991013
where:
bonds (distance) C4'-P energy: -49.483
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -55.549
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -83.297
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: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -899.418805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.418805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.418805 (E_RNA)
where:
Base-Base interactions energy: -621.574
where: short stacking energy: -259.012
Base-Backbone interact. energy: -1.853
local terms energy: -275.991907
where:
bonds (distance) C4'-P energy: -55.922
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -75.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -844.907335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.907335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.907335 (E_RNA)
where:
Base-Base interactions energy: -576.289
where: short stacking energy: -250.471
Base-Backbone interact. energy: 0.595
local terms energy: -269.213295
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -63.414
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: -70.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -789.977601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.977601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.977601 (E_RNA)
where:
Base-Base interactions energy: -535.642
where: short stacking energy: -224.184
Base-Backbone interact. energy: -0.731
local terms energy: -253.605332
where:
bonds (distance) C4'-P energy: -53.771
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -25.286
tors. eta vs tors. theta energy: -64.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -782.607046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.607046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.607046 (E_RNA)
where:
Base-Base interactions energy: -536.138
where: short stacking energy: -224.218
Base-Backbone interact. energy: -0.203
local terms energy: -246.266463
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -51.342
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -60.401
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: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -769.075289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.075289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.075289 (E_RNA)
where:
Base-Base interactions energy: -526.140
where: short stacking energy: -226.102
Base-Backbone interact. energy: -1.057
local terms energy: -241.877528
where:
bonds (distance) C4'-P energy: -45.864
bonds (distance) P-C4' energy: -42.595
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -67.260
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: 8, replica: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -734.948103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.948103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.948103 (E_RNA)
where:
Base-Base interactions energy: -496.787
where: short stacking energy: -221.378
Base-Backbone interact. energy: 0.423
local terms energy: -238.583670
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -52.896
flat angles P-C4'-P energy: -32.940
tors. eta vs tors. theta energy: -62.445
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: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -567.155118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.155118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.155118 (E_RNA)
where:
Base-Base interactions energy: -363.842
where: short stacking energy: -169.075
Base-Backbone interact. energy: 0.576
local terms energy: -203.889003
where:
bonds (distance) C4'-P energy: -47.967
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -39.214
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -37.151
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: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -226.745355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.745355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.745355 (E_RNA)
where:
Base-Base interactions energy: -80.001
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.547
local terms energy: -146.197139
where:
bonds (distance) C4'-P energy: -42.719
bonds (distance) P-C4' energy: -52.421
flat angles C4'-P-C4' energy: -41.184
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: 1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -968.622369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.622369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.622369 (E_RNA)
where:
Base-Base interactions energy: -665.343
where: short stacking energy: -296.886
Base-Backbone interact. energy: -1.734
local terms energy: -301.545595
where:
bonds (distance) C4'-P energy: -63.586
bonds (distance) P-C4' energy: -49.038
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -35.418
tors. eta vs tors. theta energy: -90.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -941.768657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.768657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.768657 (E_RNA)
where:
Base-Base interactions energy: -651.655
where: short stacking energy: -268.192
Base-Backbone interact. energy: -1.882
local terms energy: -288.231527
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -43.959
tors. eta vs tors. theta energy: -83.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -892.338265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.338265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.338265 (E_RNA)
where:
Base-Base interactions energy: -605.101
where: short stacking energy: -259.218
Base-Backbone interact. energy: -0.786
local terms energy: -286.451888
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -57.579
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -83.332
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -820.859607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.859607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.859607 (E_RNA)
where:
Base-Base interactions energy: -568.977
where: short stacking energy: -256.030
Base-Backbone interact. energy: 0.090
local terms energy: -251.972934
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -70.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -789.332558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.332558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.332558 (E_RNA)
where:
Base-Base interactions energy: -530.081
where: short stacking energy: -223.617
Base-Backbone interact. energy: -0.625
local terms energy: -258.626584
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -50.889
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -61.423
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: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -765.172902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.172902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.172902 (E_RNA)
where:
Base-Base interactions energy: -528.055
where: short stacking energy: -211.984
Base-Backbone interact. energy: 0.568
local terms energy: -237.686830
where:
bonds (distance) C4'-P energy: -39.147
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -49.496
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -53.024
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: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -719.371295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.371295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.371295 (E_RNA)
where:
Base-Base interactions energy: -481.142
where: short stacking energy: -204.959
Base-Backbone interact. energy: -0.651
local terms energy: -237.577710
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -54.634
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -56.498
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: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -722.401767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.401767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.401767 (E_RNA)
where:
Base-Base interactions energy: -478.444
where: short stacking energy: -204.168
Base-Backbone interact. energy: -0.703
local terms energy: -243.254585
where:
bonds (distance) C4'-P energy: -48.863
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -50.438
flat angles P-C4'-P energy: -37.050
tors. eta vs tors. theta energy: -54.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -507.557573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.557573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.557573 (E_RNA)
where:
Base-Base interactions energy: -324.276
where: short stacking energy: -134.710
Base-Backbone interact. energy: -0.392
local terms energy: -182.889226
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -48.694
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -27.869
tors. eta vs tors. theta energy: -23.279
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: 137
Temperature: 1.350000
Total energy: -230.862511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.862511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.862511 (E_RNA)
where:
Base-Base interactions energy: -88.734
where: short stacking energy: -80.145
Base-Backbone interact. energy: -1.162
local terms energy: -140.966267
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: 2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -967.599707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.599707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.599707 (E_RNA)
where:
Base-Base interactions energy: -668.039
where: short stacking energy: -295.531
Base-Backbone interact. energy: -0.344
local terms energy: -299.216422
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -54.348
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -43.208
tors. eta vs tors. theta energy: -93.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -919.308651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.308651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.308651 (E_RNA)
where:
Base-Base interactions energy: -629.826
where: short stacking energy: -256.170
Base-Backbone interact. energy: -1.630
local terms energy: -287.852445
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -64.981
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -80.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -887.222991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.222991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.222991 (E_RNA)
where:
Base-Base interactions energy: -606.972
where: short stacking energy: -270.166
Base-Backbone interact. energy: -0.827
local terms energy: -279.423818
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -51.480
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -48.243
tors. eta vs tors. theta energy: -76.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -817.311271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.311271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.311271 (E_RNA)
where:
Base-Base interactions energy: -550.620
where: short stacking energy: -244.616
Base-Backbone interact. energy: -1.198
local terms energy: -265.493270
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -63.048
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -64.941
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: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -814.037406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.037406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.037406 (E_RNA)
where:
Base-Base interactions energy: -558.085
where: short stacking energy: -244.217
Base-Backbone interact. energy: 0.876
local terms energy: -256.828519
where:
bonds (distance) C4'-P energy: -43.413
bonds (distance) P-C4' energy: -46.983
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -45.653
tors. eta vs tors. theta energy: -70.354
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: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -763.306677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.306677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.306677 (E_RNA)
where:
Base-Base interactions energy: -517.150
where: short stacking energy: -216.739
Base-Backbone interact. energy: -0.757
local terms energy: -245.399838
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -53.145
flat angles C4'-P-C4' energy: -48.267
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -61.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -720.644965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.644965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.644965 (E_RNA)
where:
Base-Base interactions energy: -501.287
where: short stacking energy: -204.393
Base-Backbone interact. energy: -0.762
local terms energy: -218.596349
where:
bonds (distance) C4'-P energy: -43.532
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -51.669
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: -50.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -697.372483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.372483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.372483 (E_RNA)
where:
Base-Base interactions energy: -472.451
where: short stacking energy: -185.879
Base-Backbone interact. energy: -0.019
local terms energy: -224.902858
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -48.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -464.569646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.569646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.569646 (E_RNA)
where:
Base-Base interactions energy: -273.675
where: short stacking energy: -137.639
Base-Backbone interact. energy: -0.653
local terms energy: -190.242013
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -49.528
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -25.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -226.879307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.879307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.879307 (E_RNA)
where:
Base-Base interactions energy: -81.982
where: short stacking energy: -76.619
Base-Backbone interact. energy: 3.186
local terms energy: -148.083195
where:
bonds (distance) C4'-P energy: -46.186
bonds (distance) P-C4' energy: -55.764
flat angles C4'-P-C4' energy: -32.200
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: 4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -966.953957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.953957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.953957 (E_RNA)
where:
Base-Base interactions energy: -663.717
where: short stacking energy: -296.045
Base-Backbone interact. energy: -0.515
local terms energy: -302.722114
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -58.904
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -37.000
tors. eta vs tors. theta energy: -87.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -899.716762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.716762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.716762 (E_RNA)
where:
Base-Base interactions energy: -630.254
where: short stacking energy: -263.712
Base-Backbone interact. energy: -0.381
local terms energy: -269.081204
where:
bonds (distance) C4'-P energy: -51.503
bonds (distance) P-C4' energy: -52.664
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -80.652
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: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -909.581285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.581285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.581285 (E_RNA)
where:
Base-Base interactions energy: -634.183
where: short stacking energy: -262.051
Base-Backbone interact. energy: -1.052
local terms energy: -274.346236
where:
bonds (distance) C4'-P energy: -50.750
bonds (distance) P-C4' energy: -56.599
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -32.551
tors. eta vs tors. theta energy: -78.643
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: 139
Temperature: 1.050000
Total energy: -834.046763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.046763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.046763 (E_RNA)
where:
Base-Base interactions energy: -559.831
where: short stacking energy: -245.472
Base-Backbone interact. energy: -0.821
local terms energy: -273.394855
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -52.011
flat angles C4'-P-C4' energy: -57.731
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -74.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -815.180741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.180741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.180741 (E_RNA)
where:
Base-Base interactions energy: -549.199
where: short stacking energy: -235.795
Base-Backbone interact. energy: -0.916
local terms energy: -265.066559
where:
bonds (distance) C4'-P energy: -46.907
bonds (distance) P-C4' energy: -53.005
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -64.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -799.953362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.953362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.953362 (E_RNA)
where:
Base-Base interactions energy: -548.099
where: short stacking energy: -230.056
Base-Backbone interact. energy: 0.224
local terms energy: -252.077770
where:
bonds (distance) C4'-P energy: -51.915
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -53.390
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -62.691
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: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -717.430476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.430476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.430476 (E_RNA)
where:
Base-Base interactions energy: -469.532
where: short stacking energy: -193.841
Base-Backbone interact. energy: 0.299
local terms energy: -248.197300
where:
bonds (distance) C4'-P energy: -49.767
bonds (distance) P-C4' energy: -51.236
flat angles C4'-P-C4' energy: -58.460
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -53.511
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: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -672.662083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.662083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.662083 (E_RNA)
where:
Base-Base interactions energy: -455.223
where: short stacking energy: -187.397
Base-Backbone interact. energy: -0.872
local terms energy: -216.566551
where:
bonds (distance) C4'-P energy: -43.764
bonds (distance) P-C4' energy: -38.256
flat angles C4'-P-C4' energy: -50.414
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -48.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -465.660359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.660359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.660359 (E_RNA)
where:
Base-Base interactions energy: -281.832
where: short stacking energy: -125.232
Base-Backbone interact. energy: -1.099
local terms energy: -182.729588
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -45.378
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -250.779129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.779129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.779129 (E_RNA)
where:
Base-Base interactions energy: -111.464
where: short stacking energy: -93.555
Base-Backbone interact. energy: -1.374
local terms energy: -137.941384
where:
bonds (distance) C4'-P energy: -45.603
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -954.948343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.948343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.948343 (E_RNA)
where:
Base-Base interactions energy: -664.824
where: short stacking energy: -282.764
Base-Backbone interact. energy: -0.858
local terms energy: -289.266342
where:
bonds (distance) C4'-P energy: -52.647
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: -83.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -891.851968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.851968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.851968 (E_RNA)
where:
Base-Base interactions energy: -612.029
where: short stacking energy: -259.017
Base-Backbone interact. energy: 0.694
local terms energy: -280.516523
where:
bonds (distance) C4'-P energy: -50.858
bonds (distance) P-C4' energy: -56.704
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -73.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -889.695633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.695633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.695633 (E_RNA)
where:
Base-Base interactions energy: -620.354
where: short stacking energy: -244.721
Base-Backbone interact. energy: -1.152
local terms energy: -268.189838
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -53.754
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -74.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -848.456338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.456338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.456338 (E_RNA)
where:
Base-Base interactions energy: -571.552
where: short stacking energy: -263.354
Base-Backbone interact. energy: -0.894
local terms energy: -276.010723
where:
bonds (distance) C4'-P energy: -46.196
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -824.084144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.084144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.084144 (E_RNA)
where:
Base-Base interactions energy: -570.730
where: short stacking energy: -230.158
Base-Backbone interact. energy: 0.599
local terms energy: -253.953164
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -61.669
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: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -808.677542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.677542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.677542 (E_RNA)
where:
Base-Base interactions energy: -561.334
where: short stacking energy: -254.740
Base-Backbone interact. energy: -1.210
local terms energy: -246.133608
where:
bonds (distance) C4'-P energy: -37.996
bonds (distance) P-C4' energy: -45.490
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -38.402
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: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -721.449235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.449235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.449235 (E_RNA)
where:
Base-Base interactions energy: -484.916
where: short stacking energy: -211.762
Base-Backbone interact. energy: 0.030
local terms energy: -236.563770
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -35.231
tors. eta vs tors. theta energy: -59.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -680.067748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.067748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.067748 (E_RNA)
where:
Base-Base interactions energy: -448.941
where: short stacking energy: -179.454
Base-Backbone interact. energy: -1.161
local terms energy: -229.966299
where:
bonds (distance) C4'-P energy: -50.148
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -49.418
flat angles P-C4'-P energy: -33.005
tors. eta vs tors. theta energy: -42.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -449.337670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.337670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.337670 (E_RNA)
where:
Base-Base interactions energy: -271.273
where: short stacking energy: -133.986
Base-Backbone interact. energy: -0.932
local terms energy: -177.132699
where:
bonds (distance) C4'-P energy: -42.218
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -36.179
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -19.978
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: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -219.380814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.380814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.380814 (E_RNA)
where:
Base-Base interactions energy: -86.603
where: short stacking energy: -69.911
Base-Backbone interact. energy: 1.479
local terms energy: -134.256450
where:
bonds (distance) C4'-P energy: -49.894
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: 9.143
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: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -974.850965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.850965 (E_RNA)
where:
Base-Base interactions energy: -659.659
where: short stacking energy: -295.834
Base-Backbone interact. energy: 0.474
local terms energy: -315.665899
where:
bonds (distance) C4'-P energy: -57.593
bonds (distance) P-C4' energy: -56.361
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -95.687
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: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -926.182456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.182456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.182456 (E_RNA)
where:
Base-Base interactions energy: -624.624
where: short stacking energy: -275.713
Base-Backbone interact. energy: -3.260
local terms energy: -298.298398
where:
bonds (distance) C4'-P energy: -54.100
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -62.400
flat angles P-C4'-P energy: -44.825
tors. eta vs tors. theta energy: -83.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -881.594015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.594015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.594015 (E_RNA)
where:
Base-Base interactions energy: -594.698
where: short stacking energy: -250.033
Base-Backbone interact. energy: 1.309
local terms energy: -288.205680
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -81.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -852.015067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.015067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.015067 (E_RNA)
where:
Base-Base interactions energy: -578.021
where: short stacking energy: -250.761
Base-Backbone interact. energy: -0.088
local terms energy: -273.906294
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -55.237
flat angles C4'-P-C4' energy: -56.521
flat angles P-C4'-P energy: -35.624
tors. eta vs tors. theta energy: -72.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -812.838446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.838446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.838446 (E_RNA)
where:
Base-Base interactions energy: -551.127
where: short stacking energy: -221.215
Base-Backbone interact. energy: -0.531
local terms energy: -261.180212
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -57.379
flat angles C4'-P-C4' energy: -54.097
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -63.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -790.258304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.258304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.258304 (E_RNA)
where:
Base-Base interactions energy: -545.513
where: short stacking energy: -214.306
Base-Backbone interact. energy: -1.640
local terms energy: -243.105597
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -48.978
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -58.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -695.229277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.229277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.229277 (E_RNA)
where:
Base-Base interactions energy: -471.895
where: short stacking energy: -191.124
Base-Backbone interact. energy: 0.553
local terms energy: -223.886563
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -36.020
tors. eta vs tors. theta energy: -44.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -639.364564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.364564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.364564 (E_RNA)
where:
Base-Base interactions energy: -432.529
where: short stacking energy: -192.994
Base-Backbone interact. energy: 2.225
local terms energy: -209.060845
where:
bonds (distance) C4'-P energy: -32.762
bonds (distance) P-C4' energy: -52.682
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -40.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -428.163652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.163652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.163652 (E_RNA)
where:
Base-Base interactions energy: -253.705
where: short stacking energy: -124.009
Base-Backbone interact. energy: 3.163
local terms energy: -177.620844
where:
bonds (distance) C4'-P energy: -47.247
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -43.713
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -12.470
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: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -231.665802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.665802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.665802 (E_RNA)
where:
Base-Base interactions energy: -81.807
where: short stacking energy: -74.970
Base-Backbone interact. energy: 1.672
local terms energy: -151.531027
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -33.807
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -0.119
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: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -973.307102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.307102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.307102 (E_RNA)
where:
Base-Base interactions energy: -667.805
where: short stacking energy: -296.392
Base-Backbone interact. energy: -0.921
local terms energy: -304.580259
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -60.717
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -92.497
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: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -947.048083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.048083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.048083 (E_RNA)
where:
Base-Base interactions energy: -670.952
where: short stacking energy: -270.711
Base-Backbone interact. energy: -0.075
local terms energy: -276.020821
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -55.905
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: -79.409
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: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -893.965947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.965947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.965947 (E_RNA)
where:
Base-Base interactions energy: -618.779
where: short stacking energy: -274.600
Base-Backbone interact. energy: -0.596
local terms energy: -274.591174
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -59.045
flat angles P-C4'-P energy: -39.632
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: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -845.341682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.341682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.341682 (E_RNA)
where:
Base-Base interactions energy: -576.518
where: short stacking energy: -250.946
Base-Backbone interact. energy: 1.992
local terms energy: -270.816452
where:
bonds (distance) C4'-P energy: -56.443
bonds (distance) P-C4' energy: -48.286
flat angles C4'-P-C4' energy: -59.114
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -72.541
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -831.496254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.496254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.496254 (E_RNA)
where:
Base-Base interactions energy: -573.213
where: short stacking energy: -254.868
Base-Backbone interact. energy: -1.276
local terms energy: -257.006784
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -70.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -788.866458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.866458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.866458 (E_RNA)
where:
Base-Base interactions energy: -529.995
where: short stacking energy: -228.901
Base-Backbone interact. energy: 0.203
local terms energy: -259.074820
where:
bonds (distance) C4'-P energy: -59.303
bonds (distance) P-C4' energy: -49.753
flat angles C4'-P-C4' energy: -52.395
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -65.207
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: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -675.224113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.224113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.224113 (E_RNA)
where:
Base-Base interactions energy: -468.871
where: short stacking energy: -196.865
Base-Backbone interact. energy: -2.035
local terms energy: -204.317901
where:
bonds (distance) C4'-P energy: -48.942
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -665.710349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.710349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.710349 (E_RNA)
where:
Base-Base interactions energy: -454.853
where: short stacking energy: -177.423
Base-Backbone interact. energy: 2.630
local terms energy: -213.487216
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -51.088
flat angles C4'-P-C4' energy: -44.074
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -45.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -438.118155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.118155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.118155 (E_RNA)
where:
Base-Base interactions energy: -251.310
where: short stacking energy: -120.929
Base-Backbone interact. energy: -0.410
local terms energy: -186.398475
where:
bonds (distance) C4'-P energy: -38.614
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -224.687153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.687153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.687153 (E_RNA)
where:
Base-Base interactions energy: -76.380
where: short stacking energy: -60.355
Base-Backbone interact. energy: 0.786
local terms energy: -149.093147
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -51.059
flat angles C4'-P-C4' energy: -45.731
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: 15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -971.957021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.957021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.957021 (E_RNA)
where:
Base-Base interactions energy: -666.390
where: short stacking energy: -293.413
Base-Backbone interact. energy: -1.368
local terms energy: -304.199152
where:
bonds (distance) C4'-P energy: -51.747
bonds (distance) P-C4' energy: -54.471
flat angles C4'-P-C4' energy: -62.113
flat angles P-C4'-P energy: -46.649
tors. eta vs tors. theta energy: -89.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -928.825681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.825681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.825681 (E_RNA)
where:
Base-Base interactions energy: -641.813
where: short stacking energy: -269.388
Base-Backbone interact. energy: -0.756
local terms energy: -286.256661
where:
bonds (distance) C4'-P energy: -50.292
bonds (distance) P-C4' energy: -59.724
flat angles C4'-P-C4' energy: -59.444
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: -82.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -877.840676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.840676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.840676 (E_RNA)
where:
Base-Base interactions energy: -613.547
where: short stacking energy: -271.645
Base-Backbone interact. energy: 0.274
local terms energy: -264.566942
where:
bonds (distance) C4'-P energy: -48.468
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -55.077
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -83.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -863.923868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.923868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.923868 (E_RNA)
where:
Base-Base interactions energy: -584.131
where: short stacking energy: -266.431
Base-Backbone interact. energy: -2.065
local terms energy: -277.727978
where:
bonds (distance) C4'-P energy: -55.429
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -43.263
tors. eta vs tors. theta energy: -78.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -814.452743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.452743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.452743 (E_RNA)
where:
Base-Base interactions energy: -546.229
where: short stacking energy: -233.972
Base-Backbone interact. energy: 1.138
local terms energy: -269.361702
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -60.626
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -70.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -783.124355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.124355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.124355 (E_RNA)
where:
Base-Base interactions energy: -540.596
where: short stacking energy: -224.371
Base-Backbone interact. energy: -0.771
local terms energy: -241.756754
where:
bonds (distance) C4'-P energy: -40.988
bonds (distance) P-C4' energy: -51.297
flat angles C4'-P-C4' energy: -53.645
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -55.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -690.768062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.768062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.768062 (E_RNA)
where:
Base-Base interactions energy: -451.688
where: short stacking energy: -200.889
Base-Backbone interact. energy: 2.754
local terms energy: -241.834267
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -53.072
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -690.938098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.938098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.938098 (E_RNA)
where:
Base-Base interactions energy: -478.490
where: short stacking energy: -198.088
Base-Backbone interact. energy: -1.270
local terms energy: -211.177301
where:
bonds (distance) C4'-P energy: -47.336
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -50.292
flat angles P-C4'-P energy: -31.180
tors. eta vs tors. theta energy: -46.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -474.736207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.736207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.736207 (E_RNA)
where:
Base-Base interactions energy: -305.960
where: short stacking energy: -145.972
Base-Backbone interact. energy: 8.302
local terms energy: -177.078103
where:
bonds (distance) C4'-P energy: -44.115
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -244.412223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.412223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.412223 (E_RNA)
where:
Base-Base interactions energy: -96.176
where: short stacking energy: -87.286
Base-Backbone interact. energy: -1.173
local terms energy: -147.063096
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -42.231
flat angles P-C4'-P energy: -28.216
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -949.553649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.553649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.553649 (E_RNA)
where:
Base-Base interactions energy: -654.553
where: short stacking energy: -289.342
Base-Backbone interact. energy: -0.056
local terms energy: -294.944687
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -56.115
flat angles C4'-P-C4' energy: -54.915
flat angles P-C4'-P energy: -42.642
tors. eta vs tors. theta energy: -87.874
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: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -916.849911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.849911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.849911 (E_RNA)
where:
Base-Base interactions energy: -637.661
where: short stacking energy: -253.941
Base-Backbone interact. energy: -1.246
local terms energy: -277.942903
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -50.979
flat angles C4'-P-C4' energy: -58.775
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -76.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -865.295953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.295953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.295953 (E_RNA)
where:
Base-Base interactions energy: -584.417
where: short stacking energy: -244.324
Base-Backbone interact. energy: -1.766
local terms energy: -279.113331
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -56.531
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -40.415
tors. eta vs tors. theta energy: -68.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -865.230149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.230149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.230149 (E_RNA)
where:
Base-Base interactions energy: -588.321
where: short stacking energy: -259.875
Base-Backbone interact. energy: -0.232
local terms energy: -276.676708
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -44.403
flat angles C4'-P-C4' energy: -60.200
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -84.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -823.874709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.874709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.874709 (E_RNA)
where:
Base-Base interactions energy: -564.220
where: short stacking energy: -255.732
Base-Backbone interact. energy: -1.384
local terms energy: -258.269889
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -43.587
flat angles C4'-P-C4' energy: -51.150
flat angles P-C4'-P energy: -42.166
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: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -769.118980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.118980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.118980 (E_RNA)
where:
Base-Base interactions energy: -524.436
where: short stacking energy: -212.651
Base-Backbone interact. energy: -1.964
local terms energy: -242.719039
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -62.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -727.111478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.111478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.111478 (E_RNA)
where:
Base-Base interactions energy: -497.238
where: short stacking energy: -207.759
Base-Backbone interact. energy: -0.100
local terms energy: -229.773549
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -53.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -654.686219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.686219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.686219 (E_RNA)
where:
Base-Base interactions energy: -424.772
where: short stacking energy: -180.441
Base-Backbone interact. energy: -0.779
local terms energy: -229.134951
where:
bonds (distance) C4'-P energy: -54.760
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -45.504
flat angles P-C4'-P energy: -39.460
tors. eta vs tors. theta energy: -44.168
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -458.751016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.751016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.751016 (E_RNA)
where:
Base-Base interactions energy: -281.192
where: short stacking energy: -129.852
Base-Backbone interact. energy: 1.070
local terms energy: -178.628717
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -45.853
flat angles P-C4'-P energy: -26.932
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -235.492600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.492600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.492600 (E_RNA)
where:
Base-Base interactions energy: -74.488
where: short stacking energy: -70.485
Base-Backbone interact. energy: 0.044
local terms energy: -161.048971
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -40.587
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -31.458
tors. eta vs tors. theta energy: -2.602
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: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -973.276491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.276491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.276491 (E_RNA)
where:
Base-Base interactions energy: -669.026
where: short stacking energy: -292.163
Base-Backbone interact. energy: -0.922
local terms energy: -303.328306
where:
bonds (distance) C4'-P energy: -48.586
bonds (distance) P-C4' energy: -54.399
flat angles C4'-P-C4' energy: -68.377
flat angles P-C4'-P energy: -49.546
tors. eta vs tors. theta energy: -82.421
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: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -893.900915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.900915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.900915 (E_RNA)
where:
Base-Base interactions energy: -613.311
where: short stacking energy: -287.800
Base-Backbone interact. energy: 1.066
local terms energy: -281.656209
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -48.990
tors. eta vs tors. theta energy: -85.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -882.647391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.647391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.647391 (E_RNA)
where:
Base-Base interactions energy: -606.941
where: short stacking energy: -271.114
Base-Backbone interact. energy: -0.973
local terms energy: -274.733532
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -79.454
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: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -883.475660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.475660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.475660 (E_RNA)
where:
Base-Base interactions energy: -611.239
where: short stacking energy: -266.032
Base-Backbone interact. energy: -0.888
local terms energy: -271.348747
where:
bonds (distance) C4'-P energy: -41.058
bonds (distance) P-C4' energy: -48.483
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -84.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -806.046721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.046721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.046721 (E_RNA)
where:
Base-Base interactions energy: -555.174
where: short stacking energy: -235.927
Base-Backbone interact. energy: -0.454
local terms energy: -250.418142
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -51.543
flat angles C4'-P-C4' energy: -60.439
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: -67.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -796.294723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.294723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.294723 (E_RNA)
where:
Base-Base interactions energy: -565.734
where: short stacking energy: -242.508
Base-Backbone interact. energy: -0.774
local terms energy: -229.786242
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -61.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -731.296183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.296183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.296183 (E_RNA)
where:
Base-Base interactions energy: -503.010
where: short stacking energy: -198.691
Base-Backbone interact. energy: -0.495
local terms energy: -227.791245
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -45.014
flat angles C4'-P-C4' energy: -50.873
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -56.023
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: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -693.278044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.278044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.278044 (E_RNA)
where:
Base-Base interactions energy: -485.838
where: short stacking energy: -199.493
Base-Backbone interact. energy: 1.731
local terms energy: -209.170658
where:
bonds (distance) C4'-P energy: -34.760
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -48.864
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -50.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -483.338971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.338971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.338971 (E_RNA)
where:
Base-Base interactions energy: -282.879
where: short stacking energy: -131.073
Base-Backbone interact. energy: -0.327
local terms energy: -200.132944
where:
bonds (distance) C4'-P energy: -42.296
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -49.385
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -37.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -224.096981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.096981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.096981 (E_RNA)
where:
Base-Base interactions energy: -68.942
where: short stacking energy: -62.702
Base-Backbone interact. energy: -1.034
local terms energy: -154.120502
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -44.481
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -963.712626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.712626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.712626 (E_RNA)
where:
Base-Base interactions energy: -653.032
where: short stacking energy: -290.867
Base-Backbone interact. energy: -0.547
local terms energy: -310.133592
where:
bonds (distance) C4'-P energy: -57.545
bonds (distance) P-C4' energy: -57.912
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -45.668
tors. eta vs tors. theta energy: -87.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -890.592220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.592220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.592220 (E_RNA)
where:
Base-Base interactions energy: -614.904
where: short stacking energy: -280.277
Base-Backbone interact. energy: -0.300
local terms energy: -275.387771
where:
bonds (distance) C4'-P energy: -43.686
bonds (distance) P-C4' energy: -45.330
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -82.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -843.983701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.983701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.983701 (E_RNA)
where:
Base-Base interactions energy: -581.711
where: short stacking energy: -245.140
Base-Backbone interact. energy: -0.818
local terms energy: -261.454203
where:
bonds (distance) C4'-P energy: -47.859
bonds (distance) P-C4' energy: -54.238
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -40.693
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: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -858.307404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.307404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.307404 (E_RNA)
where:
Base-Base interactions energy: -605.584
where: short stacking energy: -249.522
Base-Backbone interact. energy: -0.554
local terms energy: -252.169380
where:
bonds (distance) C4'-P energy: -42.613
bonds (distance) P-C4' energy: -42.191
flat angles C4'-P-C4' energy: -60.618
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -67.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -810.757366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.757366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.757366 (E_RNA)
where:
Base-Base interactions energy: -573.527
where: short stacking energy: -244.897
Base-Backbone interact. energy: -0.948
local terms energy: -236.282483
where:
bonds (distance) C4'-P energy: -41.140
bonds (distance) P-C4' energy: -38.483
flat angles C4'-P-C4' energy: -57.642
flat angles P-C4'-P energy: -26.830
tors. eta vs tors. theta energy: -72.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -803.753138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.753138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.753138 (E_RNA)
where:
Base-Base interactions energy: -559.571
where: short stacking energy: -219.207
Base-Backbone interact. energy: -1.224
local terms energy: -242.958419
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -60.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -718.620249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.620249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.620249 (E_RNA)
where:
Base-Base interactions energy: -501.757
where: short stacking energy: -220.734
Base-Backbone interact. energy: 1.460
local terms energy: -218.322741
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -62.526
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -50.515
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: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -708.291007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.291007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.291007 (E_RNA)
where:
Base-Base interactions energy: -475.628
where: short stacking energy: -206.006
Base-Backbone interact. energy: -0.272
local terms energy: -232.391206
where:
bonds (distance) C4'-P energy: -42.876
bonds (distance) P-C4' energy: -50.529
flat angles C4'-P-C4' energy: -57.594
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -43.845
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: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -507.798122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.798122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.798122 (E_RNA)
where:
Base-Base interactions energy: -316.332
where: short stacking energy: -155.748
Base-Backbone interact. energy: -0.659
local terms energy: -190.807353
where:
bonds (distance) C4'-P energy: -35.445
bonds (distance) P-C4' energy: -41.717
flat angles C4'-P-C4' energy: -44.142
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -39.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -226.296675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.296675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.296675 (E_RNA)
where:
Base-Base interactions energy: -86.058
where: short stacking energy: -66.249
Base-Backbone interact. energy: 1.343
local terms energy: -141.580854
where:
bonds (distance) C4'-P energy: -37.190
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -33.555
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: 4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -963.186781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.186781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.186781 (E_RNA)
where:
Base-Base interactions energy: -661.493
where: short stacking energy: -289.271
Base-Backbone interact. energy: -1.432
local terms energy: -300.261210
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -60.688
flat angles P-C4'-P energy: -46.330
tors. eta vs tors. theta energy: -87.760
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: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -887.759969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.759969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.759969 (E_RNA)
where:
Base-Base interactions energy: -602.507
where: short stacking energy: -259.496
Base-Backbone interact. energy: -2.161
local terms energy: -283.091499
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -77.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -860.529813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.529813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.529813 (E_RNA)
where:
Base-Base interactions energy: -601.371
where: short stacking energy: -256.293
Base-Backbone interact. energy: -0.865
local terms energy: -258.293943
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -69.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -877.133971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.133971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.133971 (E_RNA)
where:
Base-Base interactions energy: -606.010
where: short stacking energy: -249.212
Base-Backbone interact. energy: -1.853
local terms energy: -269.270910
where:
bonds (distance) C4'-P energy: -50.328
bonds (distance) P-C4' energy: -56.975
flat angles C4'-P-C4' energy: -57.683
flat angles P-C4'-P energy: -33.036
tors. eta vs tors. theta energy: -71.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -823.785068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.785068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.785068 (E_RNA)
where:
Base-Base interactions energy: -568.477
where: short stacking energy: -235.898
Base-Backbone interact. energy: -0.178
local terms energy: -255.130375
where:
bonds (distance) C4'-P energy: -46.765
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -63.060
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -62.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -783.278953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.278953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.278953 (E_RNA)
where:
Base-Base interactions energy: -536.001
where: short stacking energy: -212.992
Base-Backbone interact. energy: -0.412
local terms energy: -246.866464
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -62.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -732.747979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.747979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.747979 (E_RNA)
where:
Base-Base interactions energy: -492.187
where: short stacking energy: -210.143
Base-Backbone interact. energy: -0.689
local terms energy: -239.871439
where:
bonds (distance) C4'-P energy: -50.453
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -48.496
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -51.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -710.425938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.425938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.425938 (E_RNA)
where:
Base-Base interactions energy: -508.958
where: short stacking energy: -213.064
Base-Backbone interact. energy: 0.064
local terms energy: -201.531872
where:
bonds (distance) C4'-P energy: -28.256
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -42.405
flat angles P-C4'-P energy: -33.083
tors. eta vs tors. theta energy: -54.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -502.552618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.552618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.552618 (E_RNA)
where:
Base-Base interactions energy: -323.646
where: short stacking energy: -150.411
Base-Backbone interact. energy: -0.574
local terms energy: -178.332767
where:
bonds (distance) C4'-P energy: -35.063
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -26.262
tors. eta vs tors. theta energy: -28.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -227.169507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.169507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.169507 (E_RNA)
where:
Base-Base interactions energy: -82.892
where: short stacking energy: -67.755
Base-Backbone interact. energy: 0.297
local terms energy: -144.574640
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -46.353
flat angles C4'-P-C4' energy: -39.197
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: 8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -920.680606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.680606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.680606 (E_RNA)
where:
Base-Base interactions energy: -629.524
where: short stacking energy: -284.637
Base-Backbone interact. energy: -0.261
local terms energy: -290.895065
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -61.779
flat angles P-C4'-P energy: -38.283
tors. eta vs tors. theta energy: -78.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -948.601929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.601929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.601929 (E_RNA)
where:
Base-Base interactions energy: -664.665
where: short stacking energy: -288.524
Base-Backbone interact. energy: 0.385
local terms energy: -284.321850
where:
bonds (distance) C4'-P energy: -54.052
bonds (distance) P-C4' energy: -45.707
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -89.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -907.645327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.645327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.645327 (E_RNA)
where:
Base-Base interactions energy: -614.761
where: short stacking energy: -263.737
Base-Backbone interact. energy: -1.109
local terms energy: -291.774826
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -53.774
flat angles C4'-P-C4' energy: -63.056
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -83.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -827.848775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.848775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.848775 (E_RNA)
where:
Base-Base interactions energy: -564.989
where: short stacking energy: -249.898
Base-Backbone interact. energy: -0.728
local terms energy: -262.131637
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -37.827
tors. eta vs tors. theta energy: -73.685
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: 148
Temperature: 1.100000
Total energy: -812.716235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.716235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.716235 (E_RNA)
where:
Base-Base interactions energy: -566.162
where: short stacking energy: -248.510
Base-Backbone interact. energy: 0.343
local terms energy: -246.897126
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -50.097
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: -68.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -800.806455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.806455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.806455 (E_RNA)
where:
Base-Base interactions energy: -548.405
where: short stacking energy: -237.777
Base-Backbone interact. energy: -0.444
local terms energy: -251.958121
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -47.961
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -66.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -774.416617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.416617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.416617 (E_RNA)
where:
Base-Base interactions energy: -539.190
where: short stacking energy: -228.869
Base-Backbone interact. energy: 0.701
local terms energy: -235.928063
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -42.114
flat angles C4'-P-C4' energy: -53.760
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -61.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -704.332670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.332670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.332670 (E_RNA)
where:
Base-Base interactions energy: -475.989
where: short stacking energy: -191.016
Base-Backbone interact. energy: 3.033
local terms energy: -231.377054
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -54.430
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -52.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -488.375408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.375408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.375408 (E_RNA)
where:
Base-Base interactions energy: -292.769
where: short stacking energy: -124.760
Base-Backbone interact. energy: 1.187
local terms energy: -196.793317
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -42.547
flat angles C4'-P-C4' energy: -48.711
flat angles P-C4'-P energy: -30.274
tors. eta vs tors. theta energy: -26.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -246.893795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.893795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.893795 (E_RNA)
where:
Base-Base interactions energy: -89.555
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.973
local terms energy: -156.366469
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -1.456
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: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -907.395270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.395270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.395270 (E_RNA)
where:
Base-Base interactions energy: -601.257
where: short stacking energy: -274.289
Base-Backbone interact. energy: -0.234
local terms energy: -305.904397
where:
bonds (distance) C4'-P energy: -53.860
bonds (distance) P-C4' energy: -62.101
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -83.215
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: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -953.287211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.287211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.287211 (E_RNA)
where:
Base-Base interactions energy: -656.064
where: short stacking energy: -286.111
Base-Backbone interact. energy: -1.605
local terms energy: -295.618227
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -49.562
flat angles C4'-P-C4' energy: -63.150
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -86.411
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -901.436980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.436980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.436980 (E_RNA)
where:
Base-Base interactions energy: -603.031
where: short stacking energy: -250.978
Base-Backbone interact. energy: -1.368
local terms energy: -297.038465
where:
bonds (distance) C4'-P energy: -52.068
bonds (distance) P-C4' energy: -59.552
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -48.370
tors. eta vs tors. theta energy: -81.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -829.235943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.235943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.235943 (E_RNA)
where:
Base-Base interactions energy: -570.744
where: short stacking energy: -245.589
Base-Backbone interact. energy: -1.842
local terms energy: -256.649285
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -53.806
flat angles P-C4'-P energy: -36.041
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: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -799.407683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.407683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.407683 (E_RNA)
where:
Base-Base interactions energy: -538.060
where: short stacking energy: -222.636
Base-Backbone interact. energy: -0.700
local terms energy: -260.647741
where:
bonds (distance) C4'-P energy: -44.537
bonds (distance) P-C4' energy: -55.935
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -58.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -801.476528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.476528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.476528 (E_RNA)
where:
Base-Base interactions energy: -544.686
where: short stacking energy: -232.681
Base-Backbone interact. energy: -1.471
local terms energy: -255.319035
where:
bonds (distance) C4'-P energy: -40.799
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -34.529
tors. eta vs tors. theta energy: -78.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -751.832955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.832955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.832955 (E_RNA)
where:
Base-Base interactions energy: -496.446
where: short stacking energy: -211.351
Base-Backbone interact. energy: -0.661
local terms energy: -254.725822
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -46.274
flat angles C4'-P-C4' energy: -58.537
flat angles P-C4'-P energy: -35.976
tors. eta vs tors. theta energy: -63.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -705.404034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.404034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.404034 (E_RNA)
where:
Base-Base interactions energy: -482.660
where: short stacking energy: -204.156
Base-Backbone interact. energy: 3.008
local terms energy: -225.751384
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -45.755
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -64.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -485.040051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.040051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.040051 (E_RNA)
where:
Base-Base interactions energy: -307.651
where: short stacking energy: -139.704
Base-Backbone interact. energy: -1.490
local terms energy: -175.898608
where:
bonds (distance) C4'-P energy: -39.784
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -238.371139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.371139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.371139 (E_RNA)
where:
Base-Base interactions energy: -80.111
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.662
local terms energy: -157.598344
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -38.737
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: 5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -960.892429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.892429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.892429 (E_RNA)
where:
Base-Base interactions energy: -669.390
where: short stacking energy: -293.731
Base-Backbone interact. energy: -0.929
local terms energy: -290.574360
where:
bonds (distance) C4'-P energy: -49.199
bonds (distance) P-C4' energy: -51.001
flat angles C4'-P-C4' energy: -63.290
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -84.638
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: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -893.266640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.266640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.266640 (E_RNA)
where:
Base-Base interactions energy: -618.299
where: short stacking energy: -270.269
Base-Backbone interact. energy: -0.077
local terms energy: -274.891188
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -46.448
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -45.188
tors. eta vs tors. theta energy: -76.838
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: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -889.142209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.142209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.142209 (E_RNA)
where:
Base-Base interactions energy: -630.858
where: short stacking energy: -269.386
Base-Backbone interact. energy: -0.601
local terms energy: -257.683145
where:
bonds (distance) C4'-P energy: -47.773
bonds (distance) P-C4' energy: -48.905
flat angles C4'-P-C4' energy: -46.920
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -77.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -835.332271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.332271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.332271 (E_RNA)
where:
Base-Base interactions energy: -564.357
where: short stacking energy: -242.565
Base-Backbone interact. energy: -1.072
local terms energy: -269.903402
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -56.313
flat angles C4'-P-C4' energy: -54.172
flat angles P-C4'-P energy: -38.675
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: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -806.928544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.928544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.928544 (E_RNA)
where:
Base-Base interactions energy: -544.830
where: short stacking energy: -217.879
Base-Backbone interact. energy: -0.604
local terms energy: -261.494052
where:
bonds (distance) C4'-P energy: -44.672
bonds (distance) P-C4' energy: -51.666
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -45.052
tors. eta vs tors. theta energy: -62.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -766.600269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.600269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.600269 (E_RNA)
where:
Base-Base interactions energy: -524.182
where: short stacking energy: -207.864
Base-Backbone interact. energy: -0.211
local terms energy: -242.206854
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -50.449
flat angles C4'-P-C4' energy: -54.598
flat angles P-C4'-P energy: -40.617
tors. eta vs tors. theta energy: -49.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -718.194383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.194383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.194383 (E_RNA)
where:
Base-Base interactions energy: -487.662
where: short stacking energy: -204.723
Base-Backbone interact. energy: -0.630
local terms energy: -229.902030
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -53.812
flat angles C4'-P-C4' energy: -43.059
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -59.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -714.553048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.553048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.553048 (E_RNA)
where:
Base-Base interactions energy: -489.418
where: short stacking energy: -205.136
Base-Backbone interact. energy: -0.363
local terms energy: -224.772681
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -45.998
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -57.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -512.150756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.150756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.150756 (E_RNA)
where:
Base-Base interactions energy: -319.683
where: short stacking energy: -136.983
Base-Backbone interact. energy: -0.890
local terms energy: -191.577963
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -40.931
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -222.452398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.452398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.452398 (E_RNA)
where:
Base-Base interactions energy: -73.501
where: short stacking energy: -66.351
Base-Backbone interact. energy: 0.629
local terms energy: -149.580555
where:
bonds (distance) C4'-P energy: -38.179
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -45.308
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: 6.182
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: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -968.257718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.257718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.257718 (E_RNA)
where:
Base-Base interactions energy: -668.271
where: short stacking energy: -278.277
Base-Backbone interact. energy: -0.380
local terms energy: -299.606364
where:
bonds (distance) C4'-P energy: -55.890
bonds (distance) P-C4' energy: -46.953
flat angles C4'-P-C4' energy: -65.708
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -84.847
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: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -896.531346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.531346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.531346 (E_RNA)
where:
Base-Base interactions energy: -605.560
where: short stacking energy: -272.676
Base-Backbone interact. energy: -0.980
local terms energy: -289.991464
where:
bonds (distance) C4'-P energy: -53.621
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -79.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -888.715066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.715066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.715066 (E_RNA)
where:
Base-Base interactions energy: -612.264
where: short stacking energy: -254.371
Base-Backbone interact. energy: -1.367
local terms energy: -275.083684
where:
bonds (distance) C4'-P energy: -50.421
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -59.015
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -78.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -852.463897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.463897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.463897 (E_RNA)
where:
Base-Base interactions energy: -585.377
where: short stacking energy: -254.568
Base-Backbone interact. energy: -0.204
local terms energy: -266.882982
where:
bonds (distance) C4'-P energy: -51.210
bonds (distance) P-C4' energy: -45.021
flat angles C4'-P-C4' energy: -58.978
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -77.738
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -831.539024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.539024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.539024 (E_RNA)
where:
Base-Base interactions energy: -576.546
where: short stacking energy: -247.417
Base-Backbone interact. energy: 0.916
local terms energy: -255.908639
where:
bonds (distance) C4'-P energy: -41.301
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -71.626
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: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -773.817109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.817109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.817109 (E_RNA)
where:
Base-Base interactions energy: -521.169
where: short stacking energy: -223.522
Base-Backbone interact. energy: -0.306
local terms energy: -252.342541
where:
bonds (distance) C4'-P energy: -49.701
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -41.856
tors. eta vs tors. theta energy: -60.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -765.727174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.727174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.727174 (E_RNA)
where:
Base-Base interactions energy: -522.132
where: short stacking energy: -218.366
Base-Backbone interact. energy: -0.370
local terms energy: -243.224775
where:
bonds (distance) C4'-P energy: -52.348
bonds (distance) P-C4' energy: -42.613
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -63.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -651.927421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.927421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.927421 (E_RNA)
where:
Base-Base interactions energy: -445.856
where: short stacking energy: -198.728
Base-Backbone interact. energy: -0.436
local terms energy: -205.636174
where:
bonds (distance) C4'-P energy: -43.627
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -42.519
flat angles P-C4'-P energy: -35.819
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -501.124098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.124098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.124098 (E_RNA)
where:
Base-Base interactions energy: -319.236
where: short stacking energy: -139.945
Base-Backbone interact. energy: -0.351
local terms energy: -181.537053
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -36.697
flat angles C4'-P-C4' energy: -38.954
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -41.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -228.470372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.470372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.470372 (E_RNA)
where:
Base-Base interactions energy: -77.406
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.674
local terms energy: -150.390107
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: 0.967
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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -966.748825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.748825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.748825 (E_RNA)
where:
Base-Base interactions energy: -658.783
where: short stacking energy: -294.014
Base-Backbone interact. energy: 0.586
local terms energy: -308.551722
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -44.583
tors. eta vs tors. theta energy: -90.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -892.653448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.653448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.653448 (E_RNA)
where:
Base-Base interactions energy: -611.753
where: short stacking energy: -252.885
Base-Backbone interact. energy: -0.590
local terms energy: -280.310370
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -52.327
flat angles C4'-P-C4' energy: -58.767
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: -74.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -912.252642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.252642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.252642 (E_RNA)
where:
Base-Base interactions energy: -621.749
where: short stacking energy: -267.514
Base-Backbone interact. energy: -1.552
local terms energy: -288.952195
where:
bonds (distance) C4'-P energy: -54.052
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -54.848
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -87.981
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: 4, replica: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -843.869635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.869635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.869635 (E_RNA)
where:
Base-Base interactions energy: -584.988
where: short stacking energy: -264.217
Base-Backbone interact. energy: -1.564
local terms energy: -257.317230
where:
bonds (distance) C4'-P energy: -40.955
bonds (distance) P-C4' energy: -51.717
flat angles C4'-P-C4' energy: -54.255
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -82.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -839.595180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.595180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.595180 (E_RNA)
where:
Base-Base interactions energy: -587.231
where: short stacking energy: -257.312
Base-Backbone interact. energy: -0.427
local terms energy: -251.937654
where:
bonds (distance) C4'-P energy: -45.966
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -76.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -751.368272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.368272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.368272 (E_RNA)
where:
Base-Base interactions energy: -519.916
where: short stacking energy: -210.895
Base-Backbone interact. energy: -0.733
local terms energy: -230.719161
where:
bonds (distance) C4'-P energy: -44.949
bonds (distance) P-C4' energy: -46.709
flat angles C4'-P-C4' energy: -53.896
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -51.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -754.484715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.484715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.484715 (E_RNA)
where:
Base-Base interactions energy: -529.266
where: short stacking energy: -231.461
Base-Backbone interact. energy: -1.668
local terms energy: -223.551086
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -29.081
flat angles C4'-P-C4' energy: -49.838
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -66.254
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: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -676.649656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.649656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.649656 (E_RNA)
where:
Base-Base interactions energy: -460.389
where: short stacking energy: -197.127
Base-Backbone interact. energy: -0.856
local terms energy: -215.404705
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -47.921
flat angles C4'-P-C4' energy: -42.750
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -55.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -478.862724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.862724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.862724 (E_RNA)
where:
Base-Base interactions energy: -318.479
where: short stacking energy: -152.579
Base-Backbone interact. energy: -0.645
local terms energy: -159.737915
where:
bonds (distance) C4'-P energy: -30.878
bonds (distance) P-C4' energy: -38.556
flat angles C4'-P-C4' energy: -37.832
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -30.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -236.020765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.020765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.020765 (E_RNA)
where:
Base-Base interactions energy: -92.825
where: short stacking energy: -80.591
Base-Backbone interact. energy: 1.699
local terms energy: -144.894723
where:
bonds (distance) C4'-P energy: -35.475
bonds (distance) P-C4' energy: -40.589
flat angles C4'-P-C4' energy: -42.983
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -958.393452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.393452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.393452 (E_RNA)
where:
Base-Base interactions energy: -650.082
where: short stacking energy: -286.072
Base-Backbone interact. energy: -1.025
local terms energy: -307.285981
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -57.877
flat angles C4'-P-C4' energy: -68.994
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -87.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -880.651186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.651186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.651186 (E_RNA)
where:
Base-Base interactions energy: -598.237
where: short stacking energy: -262.907
Base-Backbone interact. energy: -0.844
local terms energy: -281.570659
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -61.518
flat angles P-C4'-P energy: -46.493
tors. eta vs tors. theta energy: -74.652
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: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -893.760119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.760119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.760119 (E_RNA)
where:
Base-Base interactions energy: -616.773
where: short stacking energy: -264.040
Base-Backbone interact. energy: -0.542
local terms energy: -276.444864
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -57.593
flat angles C4'-P-C4' energy: -61.416
flat angles P-C4'-P energy: -35.116
tors. eta vs tors. theta energy: -82.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -856.217834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.217834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.217834 (E_RNA)
where:
Base-Base interactions energy: -586.199
where: short stacking energy: -248.328
Base-Backbone interact. energy: -0.435
local terms energy: -269.584354
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -42.298
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -77.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -839.055622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.055622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.055622 (E_RNA)
where:
Base-Base interactions energy: -572.117
where: short stacking energy: -248.230
Base-Backbone interact. energy: -2.630
local terms energy: -264.308450
where:
bonds (distance) C4'-P energy: -52.155
bonds (distance) P-C4' energy: -43.302
flat angles C4'-P-C4' energy: -59.332
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -71.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -763.331206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.331206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.331206 (E_RNA)
where:
Base-Base interactions energy: -517.111
where: short stacking energy: -232.187
Base-Backbone interact. energy: -0.792
local terms energy: -245.427631
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -47.703
flat angles C4'-P-C4' energy: -58.511
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -59.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -765.516782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.516782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.516782 (E_RNA)
where:
Base-Base interactions energy: -526.425
where: short stacking energy: -219.995
Base-Backbone interact. energy: -1.161
local terms energy: -237.930437
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -28.191
tors. eta vs tors. theta energy: -66.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -701.795018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.795018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.795018 (E_RNA)
where:
Base-Base interactions energy: -485.134
where: short stacking energy: -194.768
Base-Backbone interact. energy: -1.554
local terms energy: -215.107210
where:
bonds (distance) C4'-P energy: -34.323
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -49.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -492.652751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.652751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.652751 (E_RNA)
where:
Base-Base interactions energy: -304.915
where: short stacking energy: -146.764
Base-Backbone interact. energy: -1.643
local terms energy: -186.094642
where:
bonds (distance) C4'-P energy: -40.603
bonds (distance) P-C4' energy: -41.094
flat angles C4'-P-C4' energy: -42.491
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -37.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -248.248192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.248192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.248192 (E_RNA)
where:
Base-Base interactions energy: -97.184
where: short stacking energy: -82.957
Base-Backbone interact. energy: -0.209
local terms energy: -150.855111
where:
bonds (distance) C4'-P energy: -42.217
bonds (distance) P-C4' energy: -45.007
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -9.202
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: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -955.775164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.775164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.775164 (E_RNA)
where:
Base-Base interactions energy: -656.439
where: short stacking energy: -283.909
Base-Backbone interact. energy: -2.441
local terms energy: -296.895104
where:
bonds (distance) C4'-P energy: -56.726
bonds (distance) P-C4' energy: -51.605
flat angles C4'-P-C4' energy: -65.050
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -77.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -899.461964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.461964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.461964 (E_RNA)
where:
Base-Base interactions energy: -609.135
where: short stacking energy: -280.392
Base-Backbone interact. energy: -0.650
local terms energy: -289.676470
where:
bonds (distance) C4'-P energy: -56.792
bonds (distance) P-C4' energy: -55.017
flat angles C4'-P-C4' energy: -56.139
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -78.540
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: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -894.037140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.037140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.037140 (E_RNA)
where:
Base-Base interactions energy: -623.294
where: short stacking energy: -252.359
Base-Backbone interact. energy: -1.114
local terms energy: -269.629142
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -49.324
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: -76.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -858.084621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.084621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.084621 (E_RNA)
where:
Base-Base interactions energy: -588.457
where: short stacking energy: -249.292
Base-Backbone interact. energy: -0.495
local terms energy: -269.132100
where:
bonds (distance) C4'-P energy: -55.537
bonds (distance) P-C4' energy: -52.862
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -71.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -829.907865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.907865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.907865 (E_RNA)
where:
Base-Base interactions energy: -558.967
where: short stacking energy: -248.688
Base-Backbone interact. energy: -1.870
local terms energy: -269.070994
where:
bonds (distance) C4'-P energy: -49.315
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -54.357
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -65.068
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: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -758.384328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.384328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.384328 (E_RNA)
where:
Base-Base interactions energy: -508.301
where: short stacking energy: -226.509
Base-Backbone interact. energy: -2.166
local terms energy: -247.917677
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -45.028
flat angles C4'-P-C4' energy: -56.666
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -62.368
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: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -745.857359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.857359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.857359 (E_RNA)
where:
Base-Base interactions energy: -500.409
where: short stacking energy: -209.847
Base-Backbone interact. energy: -0.360
local terms energy: -245.088862
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -34.314
tors. eta vs tors. theta energy: -59.198
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: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -692.069445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.069445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.069445 (E_RNA)
where:
Base-Base interactions energy: -469.859
where: short stacking energy: -177.614
Base-Backbone interact. energy: -0.837
local terms energy: -221.373894
where:
bonds (distance) C4'-P energy: -46.415
bonds (distance) P-C4' energy: -58.298
flat angles C4'-P-C4' energy: -39.000
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -44.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -487.052056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.052056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.052056 (E_RNA)
where:
Base-Base interactions energy: -277.921
where: short stacking energy: -131.190
Base-Backbone interact. energy: -2.749
local terms energy: -206.381857
where:
bonds (distance) C4'-P energy: -45.241
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -50.871
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: -31.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -235.046606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.046606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.046606 (E_RNA)
where:
Base-Base interactions energy: -84.982
where: short stacking energy: -65.301
Base-Backbone interact. energy: 0.236
local terms energy: -150.300868
where:
bonds (distance) C4'-P energy: -43.065
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -961.423240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.423240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.423240 (E_RNA)
where:
Base-Base interactions energy: -664.986
where: short stacking energy: -289.796
Base-Backbone interact. energy: -0.611
local terms energy: -295.827000
where:
bonds (distance) C4'-P energy: -54.259
bonds (distance) P-C4' energy: -55.979
flat angles C4'-P-C4' energy: -59.870
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -87.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -914.916697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.916697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.916697 (E_RNA)
where:
Base-Base interactions energy: -633.988
where: short stacking energy: -266.786
Base-Backbone interact. energy: -0.848
local terms energy: -280.080614
where:
bonds (distance) C4'-P energy: -53.369
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -64.785
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -70.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -868.089936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.089936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.089936 (E_RNA)
where:
Base-Base interactions energy: -589.548
where: short stacking energy: -261.710
Base-Backbone interact. energy: -0.944
local terms energy: -277.597294
where:
bonds (distance) C4'-P energy: -51.837
bonds (distance) P-C4' energy: -50.696
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -32.177
tors. eta vs tors. theta energy: -77.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -855.865586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.865586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.865586 (E_RNA)
where:
Base-Base interactions energy: -585.236
where: short stacking energy: -251.025
Base-Backbone interact. energy: -0.397
local terms energy: -270.232423
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -49.730
flat angles C4'-P-C4' energy: -52.641
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -76.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -831.518494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.518494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.518494 (E_RNA)
where:
Base-Base interactions energy: -573.840
where: short stacking energy: -251.408
Base-Backbone interact. energy: 0.489
local terms energy: -258.167574
where:
bonds (distance) C4'-P energy: -55.093
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -55.913
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -67.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -785.482650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.482650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.482650 (E_RNA)
where:
Base-Base interactions energy: -525.383
where: short stacking energy: -227.218
Base-Backbone interact. energy: 1.130
local terms energy: -261.229200
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -46.796
flat angles C4'-P-C4' energy: -57.767
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -68.005
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: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -755.181363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.181363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.181363 (E_RNA)
where:
Base-Base interactions energy: -517.635
where: short stacking energy: -220.524
Base-Backbone interact. energy: -0.770
local terms energy: -236.775940
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -50.831
flat angles P-C4'-P energy: -31.377
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: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -710.051655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.051655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.051655 (E_RNA)
where:
Base-Base interactions energy: -473.136
where: short stacking energy: -188.979
Base-Backbone interact. energy: -0.464
local terms energy: -236.451576
where:
bonds (distance) C4'-P energy: -47.974
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -49.891
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: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -485.167601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.167601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.167601 (E_RNA)
where:
Base-Base interactions energy: -292.660
where: short stacking energy: -143.852
Base-Backbone interact. energy: -0.750
local terms energy: -191.757271
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -43.749
flat angles C4'-P-C4' energy: -41.713
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -36.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -212.098554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.098554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.098554 (E_RNA)
where:
Base-Base interactions energy: -66.661
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.481
local terms energy: -144.956838
where:
bonds (distance) C4'-P energy: -43.155
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -43.097
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: 2.229
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: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -965.847432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.847432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.847432 (E_RNA)
where:
Base-Base interactions energy: -674.426
where: short stacking energy: -292.780
Base-Backbone interact. energy: -0.054
local terms energy: -291.367126
where:
bonds (distance) C4'-P energy: -50.733
bonds (distance) P-C4' energy: -56.184
flat angles C4'-P-C4' energy: -60.440
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -89.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -942.831725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.831725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.831725 (E_RNA)
where:
Base-Base interactions energy: -645.977
where: short stacking energy: -288.638
Base-Backbone interact. energy: -0.324
local terms energy: -296.530832
where:
bonds (distance) C4'-P energy: -56.294
bonds (distance) P-C4' energy: -54.341
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -85.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -859.648296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.648296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.648296 (E_RNA)
where:
Base-Base interactions energy: -573.774
where: short stacking energy: -259.946
Base-Backbone interact. energy: 2.101
local terms energy: -287.975653
where:
bonds (distance) C4'-P energy: -48.178
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -58.705
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -80.598
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: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -845.097456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.097456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.097456 (E_RNA)
where:
Base-Base interactions energy: -575.814
where: short stacking energy: -243.551
Base-Backbone interact. energy: -0.651
local terms energy: -268.632025
where:
bonds (distance) C4'-P energy: -51.434
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -76.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -836.633726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.633726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.633726 (E_RNA)
where:
Base-Base interactions energy: -585.867
where: short stacking energy: -252.610
Base-Backbone interact. energy: -0.773
local terms energy: -249.993546
where:
bonds (distance) C4'-P energy: -42.734
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -56.437
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: -69.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -799.321012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.321012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.321012 (E_RNA)
where:
Base-Base interactions energy: -576.076
where: short stacking energy: -242.111
Base-Backbone interact. energy: -1.820
local terms energy: -221.424377
where:
bonds (distance) C4'-P energy: -46.333
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -67.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -723.259908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.259908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.259908 (E_RNA)
where:
Base-Base interactions energy: -494.321
where: short stacking energy: -209.773
Base-Backbone interact. energy: -0.023
local terms energy: -228.915272
where:
bonds (distance) C4'-P energy: -46.787
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -53.711
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: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -677.605139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.605139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.605139 (E_RNA)
where:
Base-Base interactions energy: -467.003
where: short stacking energy: -192.522
Base-Backbone interact. energy: -1.582
local terms energy: -209.019710
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -46.653
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -48.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -496.571335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.571335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.571335 (E_RNA)
where:
Base-Base interactions energy: -298.902
where: short stacking energy: -130.113
Base-Backbone interact. energy: 1.350
local terms energy: -199.019197
where:
bonds (distance) C4'-P energy: -46.800
bonds (distance) P-C4' energy: -41.921
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -28.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -250.329771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.329771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.329771 (E_RNA)
where:
Base-Base interactions energy: -86.747
where: short stacking energy: -82.807
Base-Backbone interact. energy: -0.629
local terms energy: -162.953484
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -44.041
flat angles C4'-P-C4' energy: -44.256
flat angles P-C4'-P energy: -21.565
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: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -963.790735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.790735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.790735 (E_RNA)
where:
Base-Base interactions energy: -662.529
where: short stacking energy: -282.095
Base-Backbone interact. energy: -2.473
local terms energy: -298.788745
where:
bonds (distance) C4'-P energy: -48.081
bonds (distance) P-C4' energy: -57.933
flat angles C4'-P-C4' energy: -65.243
flat angles P-C4'-P energy: -42.661
tors. eta vs tors. theta energy: -84.870
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: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -947.248457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.248457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.248457 (E_RNA)
where:
Base-Base interactions energy: -646.347
where: short stacking energy: -296.432
Base-Backbone interact. energy: -1.274
local terms energy: -299.626975
where:
bonds (distance) C4'-P energy: -49.775
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -47.669
tors. eta vs tors. theta energy: -89.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -887.546794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.546794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.546794 (E_RNA)
where:
Base-Base interactions energy: -604.609
where: short stacking energy: -284.603
Base-Backbone interact. energy: -0.301
local terms energy: -282.636557
where:
bonds (distance) C4'-P energy: -52.183
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -58.159
flat angles P-C4'-P energy: -36.309
tors. eta vs tors. theta energy: -81.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -872.137050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.137050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.137050 (E_RNA)
where:
Base-Base interactions energy: -603.270
where: short stacking energy: -261.075
Base-Backbone interact. energy: -0.584
local terms energy: -268.283088
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -56.215
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -75.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -827.371520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.371520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.371520 (E_RNA)
where:
Base-Base interactions energy: -561.633
where: short stacking energy: -232.232
Base-Backbone interact. energy: -0.456
local terms energy: -265.282153
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -51.011
flat angles C4'-P-C4' energy: -53.779
flat angles P-C4'-P energy: -43.802
tors. eta vs tors. theta energy: -69.367
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: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -808.024398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.024398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.024398 (E_RNA)
where:
Base-Base interactions energy: -565.256
where: short stacking energy: -232.339
Base-Backbone interact. energy: -0.582
local terms energy: -242.186638
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -48.565
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -64.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -757.909543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.909543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.909543 (E_RNA)
where:
Base-Base interactions energy: -523.153
where: short stacking energy: -212.667
Base-Backbone interact. energy: -0.022
local terms energy: -234.734101
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -35.976
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: 8, replica: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -700.724710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.724710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.724710 (E_RNA)
where:
Base-Base interactions energy: -467.221
where: short stacking energy: -175.550
Base-Backbone interact. energy: 1.513
local terms energy: -235.016768
where:
bonds (distance) C4'-P energy: -49.794
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -48.757
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -59.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -490.477276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.477276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.477276 (E_RNA)
where:
Base-Base interactions energy: -291.071
where: short stacking energy: -151.804
Base-Backbone interact. energy: -1.010
local terms energy: -198.396691
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -46.002
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -229.075481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.075481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.075481 (E_RNA)
where:
Base-Base interactions energy: -106.811
where: short stacking energy: -58.244
Base-Backbone interact. energy: 1.512
local terms energy: -123.775755
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -42.757
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: 22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -962.538404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.538404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.538404 (E_RNA)
where:
Base-Base interactions energy: -663.673
where: short stacking energy: -301.057
Base-Backbone interact. energy: -1.208
local terms energy: -297.657133
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -55.493
flat angles C4'-P-C4' energy: -61.327
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -82.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -928.475195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.475195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.475195 (E_RNA)
where:
Base-Base interactions energy: -638.109
where: short stacking energy: -265.180
Base-Backbone interact. energy: 1.924
local terms energy: -292.289781
where:
bonds (distance) C4'-P energy: -57.084
bonds (distance) P-C4' energy: -60.498
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -81.922
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: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -889.342279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.342279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.342279 (E_RNA)
where:
Base-Base interactions energy: -599.609
where: short stacking energy: -258.991
Base-Backbone interact. energy: -1.092
local terms energy: -288.640886
where:
bonds (distance) C4'-P energy: -50.972
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -45.649
tors. eta vs tors. theta energy: -77.286
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: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -847.999986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.999986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.999986 (E_RNA)
where:
Base-Base interactions energy: -577.566
where: short stacking energy: -250.741
Base-Backbone interact. energy: -1.826
local terms energy: -268.608489
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -61.254
flat angles C4'-P-C4' energy: -56.059
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -69.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -805.612687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.612687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.612687 (E_RNA)
where:
Base-Base interactions energy: -553.463
where: short stacking energy: -216.739
Base-Backbone interact. energy: -0.407
local terms energy: -251.742778
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -48.648
flat angles C4'-P-C4' energy: -50.439
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -61.581
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: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -834.389047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.389047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.389047 (E_RNA)
where:
Base-Base interactions energy: -564.490
where: short stacking energy: -253.345
Base-Backbone interact. energy: -0.855
local terms energy: -269.044002
where:
bonds (distance) C4'-P energy: -52.244
bonds (distance) P-C4' energy: -51.566
flat angles C4'-P-C4' energy: -46.208
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -76.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -716.450013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.450013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.450013 (E_RNA)
where:
Base-Base interactions energy: -492.634
where: short stacking energy: -210.191
Base-Backbone interact. energy: -1.132
local terms energy: -222.683481
where:
bonds (distance) C4'-P energy: -35.348
bonds (distance) P-C4' energy: -50.359
flat angles C4'-P-C4' energy: -45.869
flat angles P-C4'-P energy: -35.060
tors. eta vs tors. theta energy: -56.048
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: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -720.340321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.340321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.340321 (E_RNA)
where:
Base-Base interactions energy: -487.034
where: short stacking energy: -205.047
Base-Backbone interact. energy: 0.920
local terms energy: -234.226677
where:
bonds (distance) C4'-P energy: -43.657
bonds (distance) P-C4' energy: -45.949
flat angles C4'-P-C4' energy: -52.719
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: -47.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -452.905545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.905545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.905545 (E_RNA)
where:
Base-Base interactions energy: -269.022
where: short stacking energy: -133.689
Base-Backbone interact. energy: 1.420
local terms energy: -185.303647
where:
bonds (distance) C4'-P energy: -49.832
bonds (distance) P-C4' energy: -41.264
flat angles C4'-P-C4' energy: -41.400
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -258.661486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.661486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.661486 (E_RNA)
where:
Base-Base interactions energy: -88.654
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.383
local terms energy: -169.623993
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -50.899
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -6.689
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: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -976.022989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.022989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.022989 (E_RNA)
where:
Base-Base interactions energy: -672.685
where: short stacking energy: -289.564
Base-Backbone interact. energy: -1.258
local terms energy: -302.079723
where:
bonds (distance) C4'-P energy: -47.701
bonds (distance) P-C4' energy: -55.561
flat angles C4'-P-C4' energy: -66.772
flat angles P-C4'-P energy: -41.223
tors. eta vs tors. theta energy: -90.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -967.701830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.701830 (E_RNA)
where:
Base-Base interactions energy: -665.704
where: short stacking energy: -289.814
Base-Backbone interact. energy: -1.577
local terms energy: -300.421296
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -63.590
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: -88.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -885.668956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.668956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.668956 (E_RNA)
where:
Base-Base interactions energy: -610.104
where: short stacking energy: -276.912
Base-Backbone interact. energy: -0.520
local terms energy: -275.044977
where:
bonds (distance) C4'-P energy: -50.895
bonds (distance) P-C4' energy: -46.130
flat angles C4'-P-C4' energy: -61.692
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -81.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -865.137992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.137992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.137992 (E_RNA)
where:
Base-Base interactions energy: -605.985
where: short stacking energy: -252.415
Base-Backbone interact. energy: -1.338
local terms energy: -257.815596
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -65.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -846.861520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.861520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.861520 (E_RNA)
where:
Base-Base interactions energy: -590.940
where: short stacking energy: -253.107
Base-Backbone interact. energy: -1.395
local terms energy: -254.527008
where:
bonds (distance) C4'-P energy: -48.194
bonds (distance) P-C4' energy: -42.395
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -74.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -772.099138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.099138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.099138 (E_RNA)
where:
Base-Base interactions energy: -518.772
where: short stacking energy: -224.033
Base-Backbone interact. energy: 1.047
local terms energy: -254.373870
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -50.584
flat angles C4'-P-C4' energy: -56.372
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -61.063
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: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -767.999107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.999107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.999107 (E_RNA)
where:
Base-Base interactions energy: -549.441
where: short stacking energy: -220.186
Base-Backbone interact. energy: 0.037
local terms energy: -218.594780
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -60.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -709.116734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.116734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.116734 (E_RNA)
where:
Base-Base interactions energy: -471.100
where: short stacking energy: -194.074
Base-Backbone interact. energy: -2.969
local terms energy: -235.047947
where:
bonds (distance) C4'-P energy: -43.673
bonds (distance) P-C4' energy: -52.164
flat angles C4'-P-C4' energy: -52.247
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: -48.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -441.008313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.008313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.008313 (E_RNA)
where:
Base-Base interactions energy: -273.132
where: short stacking energy: -131.059
Base-Backbone interact. energy: -0.820
local terms energy: -167.056499
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -37.887
flat angles C4'-P-C4' energy: -47.239
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -18.522
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: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -244.948698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.948698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.948698 (E_RNA)
where:
Base-Base interactions energy: -89.980
where: short stacking energy: -67.104
Base-Backbone interact. energy: 0.988
local terms energy: -155.956026
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -41.991
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: 7.268
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: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -969.611154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.611154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.611154 (E_RNA)
where:
Base-Base interactions energy: -669.823
where: short stacking energy: -285.523
Base-Backbone interact. energy: -0.731
local terms energy: -299.057003
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -53.584
flat angles C4'-P-C4' energy: -68.521
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -90.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -946.279656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.279656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.279656 (E_RNA)
where:
Base-Base interactions energy: -646.417
where: short stacking energy: -292.060
Base-Backbone interact. energy: -1.057
local terms energy: -298.805243
where:
bonds (distance) C4'-P energy: -56.332
bonds (distance) P-C4' energy: -56.229
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -87.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -863.015115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.015115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.015115 (E_RNA)
where:
Base-Base interactions energy: -587.649
where: short stacking energy: -250.590
Base-Backbone interact. energy: -1.480
local terms energy: -273.886343
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -57.220
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -66.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -841.138442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.138442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.138442 (E_RNA)
where:
Base-Base interactions energy: -583.258
where: short stacking energy: -248.851
Base-Backbone interact. energy: 0.033
local terms energy: -257.913280
where:
bonds (distance) C4'-P energy: -47.539
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -65.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -831.465151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.465151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.465151 (E_RNA)
where:
Base-Base interactions energy: -558.092
where: short stacking energy: -252.677
Base-Backbone interact. energy: 1.018
local terms energy: -274.390961
where:
bonds (distance) C4'-P energy: -43.402
bonds (distance) P-C4' energy: -65.455
flat angles C4'-P-C4' energy: -53.221
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -74.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -769.871136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.871136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.871136 (E_RNA)
where:
Base-Base interactions energy: -514.233
where: short stacking energy: -213.976
Base-Backbone interact. energy: 1.490
local terms energy: -257.128698
where:
bonds (distance) C4'-P energy: -46.433
bonds (distance) P-C4' energy: -45.759
flat angles C4'-P-C4' energy: -59.797
flat angles P-C4'-P energy: -45.545
tors. eta vs tors. theta energy: -59.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -794.841503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.841503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.841503 (E_RNA)
where:
Base-Base interactions energy: -554.026
where: short stacking energy: -234.256
Base-Backbone interact. energy: 0.632
local terms energy: -241.447768
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -47.034
flat angles C4'-P-C4' energy: -57.891
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -63.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -722.384516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.384516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.384516 (E_RNA)
where:
Base-Base interactions energy: -480.718
where: short stacking energy: -200.434
Base-Backbone interact. energy: -1.531
local terms energy: -240.136015
where:
bonds (distance) C4'-P energy: -49.402
bonds (distance) P-C4' energy: -46.636
flat angles C4'-P-C4' energy: -51.449
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -55.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -468.339544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.339544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.339544 (E_RNA)
where:
Base-Base interactions energy: -286.475
where: short stacking energy: -149.370
Base-Backbone interact. energy: -0.371
local terms energy: -181.492931
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -46.123
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -27.174
tors. eta vs tors. theta energy: -29.436
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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -236.045994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.045994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.045994 (E_RNA)
where:
Base-Base interactions energy: -83.446
where: short stacking energy: -81.551
Base-Backbone interact. energy: -0.910
local terms energy: -151.689266
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -41.879
flat angles C4'-P-C4' energy: -39.053
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: 9.989
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: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -977.134386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.134386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.134386 (E_RNA)
where:
Base-Base interactions energy: -678.139
where: short stacking energy: -295.910
Base-Backbone interact. energy: -0.790
local terms energy: -298.205102
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -89.084
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: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -942.452575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.452575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.452575 (E_RNA)
where:
Base-Base interactions energy: -639.473
where: short stacking energy: -282.050
Base-Backbone interact. energy: -1.107
local terms energy: -301.872701
where:
bonds (distance) C4'-P energy: -61.309
bonds (distance) P-C4' energy: -52.623
flat angles C4'-P-C4' energy: -61.856
flat angles P-C4'-P energy: -41.272
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -863.979874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.979874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.979874 (E_RNA)
where:
Base-Base interactions energy: -571.962
where: short stacking energy: -250.023
Base-Backbone interact. energy: 0.029
local terms energy: -292.046812
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -57.867
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: -75.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -862.762403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.762403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.762403 (E_RNA)
where:
Base-Base interactions energy: -588.935
where: short stacking energy: -247.573
Base-Backbone interact. energy: -0.722
local terms energy: -273.105180
where:
bonds (distance) C4'-P energy: -52.775
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -60.035
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -69.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -818.296023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.296023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.296023 (E_RNA)
where:
Base-Base interactions energy: -565.268
where: short stacking energy: -232.650
Base-Backbone interact. energy: -1.164
local terms energy: -251.863981
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -59.914
flat angles P-C4'-P energy: -38.942
tors. eta vs tors. theta energy: -66.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -791.943636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.943636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.943636 (E_RNA)
where:
Base-Base interactions energy: -548.514
where: short stacking energy: -227.984
Base-Backbone interact. energy: 1.717
local terms energy: -245.146544
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -50.639
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -62.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -735.896090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.896090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.896090 (E_RNA)
where:
Base-Base interactions energy: -511.451
where: short stacking energy: -210.432
Base-Backbone interact. energy: -1.845
local terms energy: -222.600596
where:
bonds (distance) C4'-P energy: -37.418
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -62.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -676.742633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.742633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.742633 (E_RNA)
where:
Base-Base interactions energy: -468.430
where: short stacking energy: -196.199
Base-Backbone interact. energy: -0.773
local terms energy: -207.539620
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -51.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -454.395596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.395596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.395596 (E_RNA)
where:
Base-Base interactions energy: -279.474
where: short stacking energy: -154.698
Base-Backbone interact. energy: -0.416
local terms energy: -174.505398
where:
bonds (distance) C4'-P energy: -45.384
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -28.297
tors. eta vs tors. theta energy: -21.601
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -225.090339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.090339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.090339 (E_RNA)
where:
Base-Base interactions energy: -94.186
where: short stacking energy: -72.300
Base-Backbone interact. energy: 2.347
local terms energy: -133.251660
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -38.735
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: 5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -966.213032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.213032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.213032 (E_RNA)
where:
Base-Base interactions energy: -660.608
where: short stacking energy: -290.958
Base-Backbone interact. energy: -1.075
local terms energy: -304.529600
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -54.736
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -88.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -945.378115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.378115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.378115 (E_RNA)
where:
Base-Base interactions energy: -664.402
where: short stacking energy: -279.924
Base-Backbone interact. energy: -0.733
local terms energy: -280.243709
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -85.501
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: 162
Temperature: 1.000000
Total energy: -900.696229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.696229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.696229 (E_RNA)
where:
Base-Base interactions energy: -641.957
where: short stacking energy: -270.231
Base-Backbone interact. energy: -1.382
local terms energy: -257.357728
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -48.690
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -76.278
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: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -813.202913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.202913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.202913 (E_RNA)
where:
Base-Base interactions energy: -569.056
where: short stacking energy: -246.625
Base-Backbone interact. energy: -0.084
local terms energy: -244.062608
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -44.738
flat angles C4'-P-C4' energy: -60.126
flat angles P-C4'-P energy: -24.470
tors. eta vs tors. theta energy: -69.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -824.428359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.428359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.428359 (E_RNA)
where:
Base-Base interactions energy: -563.031
where: short stacking energy: -239.738
Base-Backbone interact. energy: -2.002
local terms energy: -259.395087
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -39.578
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: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -777.142327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.142327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.142327 (E_RNA)
where:
Base-Base interactions energy: -526.785
where: short stacking energy: -228.252
Base-Backbone interact. energy: -0.490
local terms energy: -249.867462
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -46.062
flat angles C4'-P-C4' energy: -58.713
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -68.755
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -712.026990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.026990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.026990 (E_RNA)
where:
Base-Base interactions energy: -497.769
where: short stacking energy: -215.836
Base-Backbone interact. energy: -0.964
local terms energy: -213.293847
where:
bonds (distance) C4'-P energy: -38.773
bonds (distance) P-C4' energy: -29.184
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -60.376
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: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -696.455028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.455028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.455028 (E_RNA)
where:
Base-Base interactions energy: -470.205
where: short stacking energy: -190.248
Base-Backbone interact. energy: -0.691
local terms energy: -225.559413
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -45.265
flat angles C4'-P-C4' energy: -48.228
flat angles P-C4'-P energy: -34.701
tors. eta vs tors. theta energy: -56.509
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: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -441.932590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.932590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.932590 (E_RNA)
where:
Base-Base interactions energy: -244.783
where: short stacking energy: -119.677
Base-Backbone interact. energy: -0.685
local terms energy: -196.464766
where:
bonds (distance) C4'-P energy: -52.150
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -46.471
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -27.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -231.844752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.844752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.844752 (E_RNA)
where:
Base-Base interactions energy: -70.801
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.756
local terms energy: -160.287628
where:
bonds (distance) C4'-P energy: -44.132
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -38.258
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -976.800645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.800645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.800645 (E_RNA)
where:
Base-Base interactions energy: -671.743
where: short stacking energy: -296.297
Base-Backbone interact. energy: -1.355
local terms energy: -303.702364
where:
bonds (distance) C4'-P energy: -58.145
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -62.265
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -86.890
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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -911.981214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.981214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.981214 (E_RNA)
where:
Base-Base interactions energy: -638.775
where: short stacking energy: -267.462
Base-Backbone interact. energy: 0.940
local terms energy: -274.147201
where:
bonds (distance) C4'-P energy: -54.016
bonds (distance) P-C4' energy: -50.970
flat angles C4'-P-C4' energy: -64.497
flat angles P-C4'-P energy: -34.332
tors. eta vs tors. theta energy: -70.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -909.836423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.836423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.836423 (E_RNA)
where:
Base-Base interactions energy: -633.327
where: short stacking energy: -274.273
Base-Backbone interact. energy: -0.456
local terms energy: -276.053672
where:
bonds (distance) C4'-P energy: -45.560
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -39.775
tors. eta vs tors. theta energy: -85.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -844.612435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.612435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.612435 (E_RNA)
where:
Base-Base interactions energy: -580.607
where: short stacking energy: -268.770
Base-Backbone interact. energy: 2.367
local terms energy: -266.372607
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -48.586
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -77.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -813.932469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.932469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.932469 (E_RNA)
where:
Base-Base interactions energy: -561.850
where: short stacking energy: -251.677
Base-Backbone interact. energy: -0.269
local terms energy: -251.813255
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -49.455
flat angles C4'-P-C4' energy: -54.485
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -69.581
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: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -795.147050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.147050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.147050 (E_RNA)
where:
Base-Base interactions energy: -542.069
where: short stacking energy: -238.560
Base-Backbone interact. energy: 2.087
local terms energy: -255.165432
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -42.818
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -75.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -736.401440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.401440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.401440 (E_RNA)
where:
Base-Base interactions energy: -490.228
where: short stacking energy: -212.839
Base-Backbone interact. energy: -0.761
local terms energy: -245.412108
where:
bonds (distance) C4'-P energy: -46.560
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -56.029
flat angles P-C4'-P energy: -36.212
tors. eta vs tors. theta energy: -63.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -696.605311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.605311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.605311 (E_RNA)
where:
Base-Base interactions energy: -485.421
where: short stacking energy: -204.694
Base-Backbone interact. energy: -1.344
local terms energy: -209.840663
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -42.995
flat angles C4'-P-C4' energy: -45.961
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -45.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -416.931315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.931315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.931315 (E_RNA)
where:
Base-Base interactions energy: -245.998
where: short stacking energy: -133.035
Base-Backbone interact. energy: -1.432
local terms energy: -169.501570
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -44.388
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -30.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -248.490688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.490688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.490688 (E_RNA)
where:
Base-Base interactions energy: -90.217
where: short stacking energy: -64.492
Base-Backbone interact. energy: 0.611
local terms energy: -158.884329
where:
bonds (distance) C4'-P energy: -37.902
bonds (distance) P-C4' energy: -48.609
flat angles C4'-P-C4' energy: -43.788
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -934.582589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.582589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.582589 (E_RNA)
where:
Base-Base interactions energy: -641.440
where: short stacking energy: -286.951
Base-Backbone interact. energy: 0.293
local terms energy: -293.434881
where:
bonds (distance) C4'-P energy: -57.610
bonds (distance) P-C4' energy: -62.039
flat angles C4'-P-C4' energy: -53.172
flat angles P-C4'-P energy: -44.029
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: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -951.533580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.533580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.533580 (E_RNA)
where:
Base-Base interactions energy: -658.880
where: short stacking energy: -292.536
Base-Backbone interact. energy: -1.687
local terms energy: -290.966325
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -63.241
flat angles P-C4'-P energy: -37.453
tors. eta vs tors. theta energy: -88.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -906.161571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.161571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.161571 (E_RNA)
where:
Base-Base interactions energy: -632.123
where: short stacking energy: -257.871
Base-Backbone interact. energy: 0.741
local terms energy: -274.780216
where:
bonds (distance) C4'-P energy: -51.686
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -56.868
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -80.767
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: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -825.299896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.299896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.299896 (E_RNA)
where:
Base-Base interactions energy: -558.823
where: short stacking energy: -247.197
Base-Backbone interact. energy: -0.954
local terms energy: -265.522470
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -52.127
flat angles C4'-P-C4' energy: -49.829
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -79.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -832.940505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.940505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.940505 (E_RNA)
where:
Base-Base interactions energy: -574.497
where: short stacking energy: -252.987
Base-Backbone interact. energy: -0.463
local terms energy: -257.980054
where:
bonds (distance) C4'-P energy: -40.499
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: -75.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -793.024368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.024368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.024368 (E_RNA)
where:
Base-Base interactions energy: -542.068
where: short stacking energy: -235.320
Base-Backbone interact. energy: 1.432
local terms energy: -252.387795
where:
bonds (distance) C4'-P energy: -46.568
bonds (distance) P-C4' energy: -50.298
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -32.722
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: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -716.266069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.266069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.266069 (E_RNA)
where:
Base-Base interactions energy: -487.882
where: short stacking energy: -188.941
Base-Backbone interact. energy: 0.756
local terms energy: -229.139920
where:
bonds (distance) C4'-P energy: -42.701
bonds (distance) P-C4' energy: -44.895
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -31.884
tors. eta vs tors. theta energy: -51.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -709.224470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.224470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.224470 (E_RNA)
where:
Base-Base interactions energy: -482.511
where: short stacking energy: -207.423
Base-Backbone interact. energy: -0.622
local terms energy: -226.091670
where:
bonds (distance) C4'-P energy: -45.417
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -47.612
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -54.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -432.567242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.567242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.567242 (E_RNA)
where:
Base-Base interactions energy: -264.687
where: short stacking energy: -130.905
Base-Backbone interact. energy: 0.940
local terms energy: -168.820385
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -36.064
flat angles C4'-P-C4' energy: -34.920
flat angles P-C4'-P energy: -27.396
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -235.022806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.022806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.022806 (E_RNA)
where:
Base-Base interactions energy: -91.924
where: short stacking energy: -47.782
Base-Backbone interact. energy: 2.363
local terms energy: -145.462405
where:
bonds (distance) C4'-P energy: -37.432
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: 14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -935.530111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.530111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.530111 (E_RNA)
where:
Base-Base interactions energy: -642.010
where: short stacking energy: -273.511
Base-Backbone interact. energy: -0.073
local terms energy: -293.446780
where:
bonds (distance) C4'-P energy: -52.646
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -59.651
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -83.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -954.314099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.314099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.314099 (E_RNA)
where:
Base-Base interactions energy: -667.741
where: short stacking energy: -288.387
Base-Backbone interact. energy: -0.380
local terms energy: -286.193024
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -48.368
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -86.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -947.353750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.353750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.353750 (E_RNA)
where:
Base-Base interactions energy: -671.901
where: short stacking energy: -298.870
Base-Backbone interact. energy: -0.895
local terms energy: -274.557208
where:
bonds (distance) C4'-P energy: -48.215
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -58.765
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -90.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -877.050983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.050983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.050983 (E_RNA)
where:
Base-Base interactions energy: -602.261
where: short stacking energy: -241.012
Base-Backbone interact. energy: -1.257
local terms energy: -273.533023
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -55.744
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -76.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -809.939148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.939148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.939148 (E_RNA)
where:
Base-Base interactions energy: -555.619
where: short stacking energy: -231.526
Base-Backbone interact. energy: -0.460
local terms energy: -253.859789
where:
bonds (distance) C4'-P energy: -44.720
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -39.077
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: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -808.768997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.768997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.768997 (E_RNA)
where:
Base-Base interactions energy: -562.355
where: short stacking energy: -250.335
Base-Backbone interact. energy: -1.241
local terms energy: -245.173204
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -56.105
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -69.846
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: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -685.352473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.352473 (E_RNA)
where:
Base-Base interactions energy: -456.715
where: short stacking energy: -199.580
Base-Backbone interact. energy: -0.309
local terms energy: -228.328487
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -46.429
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -732.817611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.817611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.817611 (E_RNA)
where:
Base-Base interactions energy: -500.042
where: short stacking energy: -208.021
Base-Backbone interact. energy: -1.461
local terms energy: -231.315019
where:
bonds (distance) C4'-P energy: -41.239
bonds (distance) P-C4' energy: -45.779
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -60.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -460.652382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.652382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.652382 (E_RNA)
where:
Base-Base interactions energy: -279.861
where: short stacking energy: -133.565
Base-Backbone interact. energy: -0.097
local terms energy: -180.695004
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -47.901
flat angles C4'-P-C4' energy: -43.036
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -216.346828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.346828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.346828 (E_RNA)
where:
Base-Base interactions energy: -83.064
where: short stacking energy: -67.155
Base-Backbone interact. energy: 3.579
local terms energy: -136.862012
where:
bonds (distance) C4'-P energy: -47.933
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -35.923
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: 13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -942.928846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.928846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.928846 (E_RNA)
where:
Base-Base interactions energy: -658.807
where: short stacking energy: -278.650
Base-Backbone interact. energy: -0.856
local terms energy: -283.265574
where:
bonds (distance) C4'-P energy: -45.015
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -59.111
flat angles P-C4'-P energy: -45.571
tors. eta vs tors. theta energy: -82.281
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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -934.014098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.014098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.014098 (E_RNA)
where:
Base-Base interactions energy: -643.635
where: short stacking energy: -280.683
Base-Backbone interact. energy: -0.473
local terms energy: -289.906330
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -48.287
flat angles C4'-P-C4' energy: -57.676
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -86.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -941.740547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.740547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.740547 (E_RNA)
where:
Base-Base interactions energy: -656.223
where: short stacking energy: -276.677
Base-Backbone interact. energy: -1.887
local terms energy: -283.630913
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -58.644
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -84.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -873.253449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.253449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.253449 (E_RNA)
where:
Base-Base interactions energy: -584.411
where: short stacking energy: -241.065
Base-Backbone interact. energy: 2.164
local terms energy: -291.007107
where:
bonds (distance) C4'-P energy: -58.272
bonds (distance) P-C4' energy: -63.396
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -73.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -825.209713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.209713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.209713 (E_RNA)
where:
Base-Base interactions energy: -571.623
where: short stacking energy: -240.339
Base-Backbone interact. energy: 3.920
local terms energy: -257.506923
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -43.929
flat angles C4'-P-C4' energy: -54.758
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -66.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -795.134110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.134110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.134110 (E_RNA)
where:
Base-Base interactions energy: -538.245
where: short stacking energy: -235.569
Base-Backbone interact. energy: -0.615
local terms energy: -256.274154
where:
bonds (distance) C4'-P energy: -45.372
bonds (distance) P-C4' energy: -53.067
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -36.674
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: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -767.630878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.630878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.630878 (E_RNA)
where:
Base-Base interactions energy: -531.247
where: short stacking energy: -225.244
Base-Backbone interact. energy: -1.248
local terms energy: -235.135983
where:
bonds (distance) C4'-P energy: -46.500
bonds (distance) P-C4' energy: -38.736
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -38.220
tors. eta vs tors. theta energy: -61.436
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -652.650036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.650036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.650036 (E_RNA)
where:
Base-Base interactions energy: -461.472
where: short stacking energy: -179.823
Base-Backbone interact. energy: -1.333
local terms energy: -189.845467
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -35.434
flat angles C4'-P-C4' energy: -48.265
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -41.021
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: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -493.376767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.376767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.376767 (E_RNA)
where:
Base-Base interactions energy: -303.190
where: short stacking energy: -136.252
Base-Backbone interact. energy: -0.154
local terms energy: -190.032633
where:
bonds (distance) C4'-P energy: -44.747
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -43.600
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -215.496032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.496032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.496032 (E_RNA)
where:
Base-Base interactions energy: -79.317
where: short stacking energy: -70.553
Base-Backbone interact. energy: -1.830
local terms energy: -134.349132
where:
bonds (distance) C4'-P energy: -36.606
bonds (distance) P-C4' energy: -43.763
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -26.780
tors. eta vs tors. theta energy: 7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -928.333283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.333283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.333283 (E_RNA)
where:
Base-Base interactions energy: -646.230
where: short stacking energy: -265.672
Base-Backbone interact. energy: -0.876
local terms energy: -281.227329
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -73.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -949.148568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.148568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.148568 (E_RNA)
where:
Base-Base interactions energy: -650.011
where: short stacking energy: -287.952
Base-Backbone interact. energy: 0.231
local terms energy: -299.368647
where:
bonds (distance) C4'-P energy: -56.383
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -86.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -939.326986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.326986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.326986 (E_RNA)
where:
Base-Base interactions energy: -650.854
where: short stacking energy: -291.605
Base-Backbone interact. energy: -2.083
local terms energy: -286.389185
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -94.387
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: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -860.121279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.121279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.121279 (E_RNA)
where:
Base-Base interactions energy: -601.736
where: short stacking energy: -256.055
Base-Backbone interact. energy: 2.377
local terms energy: -260.763091
where:
bonds (distance) C4'-P energy: -51.059
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -62.275
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -75.714
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: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -815.444528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.444528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.444528 (E_RNA)
where:
Base-Base interactions energy: -555.800
where: short stacking energy: -234.027
Base-Backbone interact. energy: 5.402
local terms energy: -265.046444
where:
bonds (distance) C4'-P energy: -52.556
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -60.644
flat angles P-C4'-P energy: -37.453
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: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -794.382838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.382838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.382838 (E_RNA)
where:
Base-Base interactions energy: -553.456
where: short stacking energy: -239.886
Base-Backbone interact. energy: -0.436
local terms energy: -240.491278
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -42.440
flat angles C4'-P-C4' energy: -53.240
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -62.685
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: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -759.464443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.464443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.464443 (E_RNA)
where:
Base-Base interactions energy: -503.220
where: short stacking energy: -220.209
Base-Backbone interact. energy: -0.461
local terms energy: -255.782998
where:
bonds (distance) C4'-P energy: -51.388
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -55.393
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: -57.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -689.125954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.125954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.125954 (E_RNA)
where:
Base-Base interactions energy: -481.669
where: short stacking energy: -198.673
Base-Backbone interact. energy: -0.941
local terms energy: -206.516196
where:
bonds (distance) C4'-P energy: -48.867
bonds (distance) P-C4' energy: -44.998
flat angles C4'-P-C4' energy: -39.899
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -480.437113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.437113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.437113 (E_RNA)
where:
Base-Base interactions energy: -284.688
where: short stacking energy: -138.070
Base-Backbone interact. energy: -0.477
local terms energy: -195.271782
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -59.489
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -32.151
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: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -245.157270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.157270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.157270 (E_RNA)
where:
Base-Base interactions energy: -95.899
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.820
local terms energy: -148.438825
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: 1.015
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: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -988.727975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.727975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.727975 (E_RNA)
where:
Base-Base interactions energy: -698.201
where: short stacking energy: -289.269
Base-Backbone interact. energy: -0.452
local terms energy: -290.075200
where:
bonds (distance) C4'-P energy: -40.448
bonds (distance) P-C4' energy: -57.280
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -86.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -921.183309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.183309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.183309 (E_RNA)
where:
Base-Base interactions energy: -635.676
where: short stacking energy: -268.753
Base-Backbone interact. energy: -0.941
local terms energy: -284.566832
where:
bonds (distance) C4'-P energy: -58.868
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -52.803
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: -73.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -921.292497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.292497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.292497 (E_RNA)
where:
Base-Base interactions energy: -635.375
where: short stacking energy: -271.145
Base-Backbone interact. energy: -1.657
local terms energy: -284.261324
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -42.728
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -80.373
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: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -851.864289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.864289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.864289 (E_RNA)
where:
Base-Base interactions energy: -586.648
where: short stacking energy: -231.571
Base-Backbone interact. energy: -0.360
local terms energy: -264.857257
where:
bonds (distance) C4'-P energy: -48.746
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -51.048
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -70.652
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: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -825.949312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.949312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.949312 (E_RNA)
where:
Base-Base interactions energy: -562.627
where: short stacking energy: -247.553
Base-Backbone interact. energy: -1.174
local terms energy: -262.147751
where:
bonds (distance) C4'-P energy: -44.078
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -73.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -782.118056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.118056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.118056 (E_RNA)
where:
Base-Base interactions energy: -527.436
where: short stacking energy: -234.032
Base-Backbone interact. energy: -1.190
local terms energy: -253.492092
where:
bonds (distance) C4'-P energy: -42.856
bonds (distance) P-C4' energy: -47.419
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -71.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -710.219453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.219453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.219453 (E_RNA)
where:
Base-Base interactions energy: -488.092
where: short stacking energy: -213.182
Base-Backbone interact. energy: -0.658
local terms energy: -221.469484
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -48.032
flat angles P-C4'-P energy: -30.821
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -718.373693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.373693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.373693 (E_RNA)
where:
Base-Base interactions energy: -492.552
where: short stacking energy: -226.526
Base-Backbone interact. energy: 1.359
local terms energy: -227.180789
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -36.872
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: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -463.004980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.004980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.004980 (E_RNA)
where:
Base-Base interactions energy: -268.160
where: short stacking energy: -146.565
Base-Backbone interact. energy: -1.020
local terms energy: -193.825447
where:
bonds (distance) C4'-P energy: -42.921
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -42.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -300.107429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.107429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.107429 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -84.054
Base-Backbone interact. energy: -1.212
local terms energy: -147.341552
where:
bonds (distance) C4'-P energy: -37.939
bonds (distance) P-C4' energy: -42.142
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -978.030612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.030612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.030612 (E_RNA)
where:
Base-Base interactions energy: -677.414
where: short stacking energy: -285.911
Base-Backbone interact. energy: -1.138
local terms energy: -299.479012
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -49.620
flat angles C4'-P-C4' energy: -64.065
flat angles P-C4'-P energy: -44.181
tors. eta vs tors. theta energy: -88.663
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: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -935.758620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.758620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.758620 (E_RNA)
where:
Base-Base interactions energy: -650.564
where: short stacking energy: -283.632
Base-Backbone interact. energy: 1.542
local terms energy: -286.736205
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -56.414
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -79.595
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: 169
Temperature: 1.000000
Total energy: -906.203377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.203377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.203377 (E_RNA)
where:
Base-Base interactions energy: -620.510
where: short stacking energy: -250.784
Base-Backbone interact. energy: 0.313
local terms energy: -286.005898
where:
bonds (distance) C4'-P energy: -47.317
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -63.875
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -69.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -820.550602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.550602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.550602 (E_RNA)
where:
Base-Base interactions energy: -565.438
where: short stacking energy: -237.509
Base-Backbone interact. energy: -0.602
local terms energy: -254.511097
where:
bonds (distance) C4'-P energy: -45.925
bonds (distance) P-C4' energy: -55.250
flat angles C4'-P-C4' energy: -59.344
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -57.713
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: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -823.902268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.902268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.902268 (E_RNA)
where:
Base-Base interactions energy: -564.810
where: short stacking energy: -236.539
Base-Backbone interact. energy: 0.312
local terms energy: -259.403968
where:
bonds (distance) C4'-P energy: -47.379
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -53.455
flat angles P-C4'-P energy: -37.520
tors. eta vs tors. theta energy: -67.271
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: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -794.777397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.777397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.777397 (E_RNA)
where:
Base-Base interactions energy: -537.658
where: short stacking energy: -235.099
Base-Backbone interact. energy: -0.504
local terms energy: -256.615887
where:
bonds (distance) C4'-P energy: -48.092
bonds (distance) P-C4' energy: -57.625
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -73.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -763.346792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.346792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.346792 (E_RNA)
where:
Base-Base interactions energy: -518.724
where: short stacking energy: -214.636
Base-Backbone interact. energy: 0.526
local terms energy: -245.149616
where:
bonds (distance) C4'-P energy: -44.686
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -62.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -705.569911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.569911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.569911 (E_RNA)
where:
Base-Base interactions energy: -477.234
where: short stacking energy: -210.912
Base-Backbone interact. energy: 1.891
local terms energy: -230.226739
where:
bonds (distance) C4'-P energy: -42.321
bonds (distance) P-C4' energy: -46.154
flat angles C4'-P-C4' energy: -49.760
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -59.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -459.296958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.296958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.296958 (E_RNA)
where:
Base-Base interactions energy: -267.217
where: short stacking energy: -128.006
Base-Backbone interact. energy: 0.364
local terms energy: -192.443799
where:
bonds (distance) C4'-P energy: -42.819
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -33.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -287.055794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.055794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.055794 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -77.230
Base-Backbone interact. energy: -1.221
local terms energy: -131.303807
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -42.065
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -966.836375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.836375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.836375 (E_RNA)
where:
Base-Base interactions energy: -671.927
where: short stacking energy: -286.027
Base-Backbone interact. energy: -0.598
local terms energy: -294.311458
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -60.366
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -83.541
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -938.470986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.470986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.470986 (E_RNA)
where:
Base-Base interactions energy: -657.759
where: short stacking energy: -281.539
Base-Backbone interact. energy: 0.401
local terms energy: -281.112312
where:
bonds (distance) C4'-P energy: -56.703
bonds (distance) P-C4' energy: -50.858
flat angles C4'-P-C4' energy: -56.614
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -77.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -901.264045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.264045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.264045 (E_RNA)
where:
Base-Base interactions energy: -613.329
where: short stacking energy: -271.142
Base-Backbone interact. energy: -1.097
local terms energy: -286.838136
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -55.043
flat angles C4'-P-C4' energy: -58.939
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -79.278
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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -824.692085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.692085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.692085 (E_RNA)
where:
Base-Base interactions energy: -562.621
where: short stacking energy: -249.177
Base-Backbone interact. energy: -2.210
local terms energy: -259.861578
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -49.077
flat angles C4'-P-C4' energy: -49.064
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -75.025
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: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -832.373311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.373311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.373311 (E_RNA)
where:
Base-Base interactions energy: -573.529
where: short stacking energy: -239.144
Base-Backbone interact. energy: -0.942
local terms energy: -257.902406
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -39.165
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: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -771.165102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.165102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.165102 (E_RNA)
where:
Base-Base interactions energy: -527.602
where: short stacking energy: -213.563
Base-Backbone interact. energy: 1.617
local terms energy: -245.179912
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -50.602
flat angles C4'-P-C4' energy: -50.173
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -61.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -741.234633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.234633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.234633 (E_RNA)
where:
Base-Base interactions energy: -491.279
where: short stacking energy: -199.633
Base-Backbone interact. energy: -0.682
local terms energy: -249.273318
where:
bonds (distance) C4'-P energy: -39.526
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -57.500
flat angles P-C4'-P energy: -44.080
tors. eta vs tors. theta energy: -58.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -694.210056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.210056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.210056 (E_RNA)
where:
Base-Base interactions energy: -476.780
where: short stacking energy: -197.410
Base-Backbone interact. energy: -0.740
local terms energy: -216.690397
where:
bonds (distance) C4'-P energy: -42.681
bonds (distance) P-C4' energy: -51.362
flat angles C4'-P-C4' energy: -49.401
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -47.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -466.026668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.026668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.026668 (E_RNA)
where:
Base-Base interactions energy: -291.541
where: short stacking energy: -132.924
Base-Backbone interact. energy: -1.289
local terms energy: -173.196676
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -50.454
flat angles C4'-P-C4' energy: -40.695
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -294.585753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.585753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.585753 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -65.466
Base-Backbone interact. energy: 3.319
local terms energy: -171.130653
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -42.147
flat angles C4'-P-C4' energy: -54.531
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -951.208992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.208992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.208992 (E_RNA)
where:
Base-Base interactions energy: -653.535
where: short stacking energy: -263.603
Base-Backbone interact. energy: -1.067
local terms energy: -296.607915
where:
bonds (distance) C4'-P energy: -57.193
bonds (distance) P-C4' energy: -57.013
flat angles C4'-P-C4' energy: -57.419
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -82.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -938.498347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.498347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.498347 (E_RNA)
where:
Base-Base interactions energy: -647.227
where: short stacking energy: -274.712
Base-Backbone interact. energy: -0.916
local terms energy: -290.355379
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -61.444
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -85.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -893.992026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.992026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.992026 (E_RNA)
where:
Base-Base interactions energy: -624.093
where: short stacking energy: -265.973
Base-Backbone interact. energy: -0.790
local terms energy: -269.109597
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -70.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -828.396313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.396313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.396313 (E_RNA)
where:
Base-Base interactions energy: -579.355
where: short stacking energy: -251.666
Base-Backbone interact. energy: -0.865
local terms energy: -248.176098
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -43.871
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -72.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -816.375320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.375320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.375320 (E_RNA)
where:
Base-Base interactions energy: -542.748
where: short stacking energy: -239.463
Base-Backbone interact. energy: -0.443
local terms energy: -273.184881
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -59.128
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -69.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -794.521405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.521405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.521405 (E_RNA)
where:
Base-Base interactions energy: -542.658
where: short stacking energy: -246.733
Base-Backbone interact. energy: -0.231
local terms energy: -251.632877
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -44.493
tors. eta vs tors. theta energy: -68.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -727.120580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.120580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.120580 (E_RNA)
where:
Base-Base interactions energy: -502.241
where: short stacking energy: -217.002
Base-Backbone interact. energy: -1.442
local terms energy: -223.437267
where:
bonds (distance) C4'-P energy: -45.133
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -59.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -756.920467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.920467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.920467 (E_RNA)
where:
Base-Base interactions energy: -509.528
where: short stacking energy: -203.193
Base-Backbone interact. energy: 3.448
local terms energy: -250.840114
where:
bonds (distance) C4'-P energy: -44.336
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -59.703
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -60.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -498.802682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.802682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.802682 (E_RNA)
where:
Base-Base interactions energy: -319.801
where: short stacking energy: -125.476
Base-Backbone interact. energy: -1.121
local terms energy: -177.881001
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -52.100
flat angles C4'-P-C4' energy: -41.614
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -273.501554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.501554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.501554 (E_RNA)
where:
Base-Base interactions energy: -123.087
where: short stacking energy: -83.964
Base-Backbone interact. energy: -1.168
local terms energy: -149.246140
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -1.708
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: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -949.391950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.391950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.391950 (E_RNA)
where:
Base-Base interactions energy: -650.717
where: short stacking energy: -285.278
Base-Backbone interact. energy: -1.279
local terms energy: -297.395508
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -53.668
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -83.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -920.476436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.476436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.476436 (E_RNA)
where:
Base-Base interactions energy: -649.326
where: short stacking energy: -271.121
Base-Backbone interact. energy: -1.114
local terms energy: -270.035669
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -57.508
flat angles C4'-P-C4' energy: -52.715
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -83.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -899.124352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.124352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.124352 (E_RNA)
where:
Base-Base interactions energy: -625.557
where: short stacking energy: -268.060
Base-Backbone interact. energy: 0.109
local terms energy: -273.676791
where:
bonds (distance) C4'-P energy: -49.560
bonds (distance) P-C4' energy: -52.882
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -73.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -853.546862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.546862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.546862 (E_RNA)
where:
Base-Base interactions energy: -584.986
where: short stacking energy: -261.546
Base-Backbone interact. energy: 1.852
local terms energy: -270.412797
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -57.187
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -78.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -774.269034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.269034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.269034 (E_RNA)
where:
Base-Base interactions energy: -535.030
where: short stacking energy: -220.816
Base-Backbone interact. energy: -0.331
local terms energy: -238.907924
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -43.884
flat angles C4'-P-C4' energy: -55.248
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: -59.763
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: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -765.188274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.188274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.188274 (E_RNA)
where:
Base-Base interactions energy: -525.164
where: short stacking energy: -220.691
Base-Backbone interact. energy: -0.699
local terms energy: -239.325282
where:
bonds (distance) C4'-P energy: -36.477
bonds (distance) P-C4' energy: -50.259
flat angles C4'-P-C4' energy: -60.026
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -56.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -742.869547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.869547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.869547 (E_RNA)
where:
Base-Base interactions energy: -504.834
where: short stacking energy: -213.304
Base-Backbone interact. energy: 0.820
local terms energy: -238.855169
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -51.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -691.216674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.216674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.216674 (E_RNA)
where:
Base-Base interactions energy: -486.638
where: short stacking energy: -195.309
Base-Backbone interact. energy: -0.580
local terms energy: -203.999355
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -27.196
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -533.206122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.206122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.206122 (E_RNA)
where:
Base-Base interactions energy: -339.356
where: short stacking energy: -144.515
Base-Backbone interact. energy: -1.925
local terms energy: -191.925031
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -50.999
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -32.853
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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -298.168896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.168896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.168896 (E_RNA)
where:
Base-Base interactions energy: -122.686
where: short stacking energy: -79.839
Base-Backbone interact. energy: -0.353
local terms energy: -175.129426
where:
bonds (distance) C4'-P energy: -50.829
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -952.247876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.247876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.247876 (E_RNA)
where:
Base-Base interactions energy: -656.187
where: short stacking energy: -287.649
Base-Backbone interact. energy: -1.541
local terms energy: -294.520240
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -49.190
flat angles C4'-P-C4' energy: -58.660
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -85.632
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: 173
Temperature: 0.950000
Total energy: -924.665862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.665862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.665862 (E_RNA)
where:
Base-Base interactions energy: -629.211
where: short stacking energy: -269.342
Base-Backbone interact. energy: -0.860
local terms energy: -294.594971
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -61.105
flat angles C4'-P-C4' energy: -60.140
flat angles P-C4'-P energy: -43.572
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -917.662129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.662129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.662129 (E_RNA)
where:
Base-Base interactions energy: -637.639
where: short stacking energy: -276.524
Base-Backbone interact. energy: 1.106
local terms energy: -281.129055
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -44.377
flat angles C4'-P-C4' energy: -61.227
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -84.094
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: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -861.551690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.551690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.551690 (E_RNA)
where:
Base-Base interactions energy: -587.575
where: short stacking energy: -258.561
Base-Backbone interact. energy: -0.329
local terms energy: -273.647670
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -53.974
flat angles C4'-P-C4' energy: -56.896
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -74.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -779.542089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.542089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.542089 (E_RNA)
where:
Base-Base interactions energy: -526.943
where: short stacking energy: -218.033
Base-Backbone interact. energy: -1.903
local terms energy: -250.696435
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -61.543
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -53.771
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: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -743.007178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.007178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.007178 (E_RNA)
where:
Base-Base interactions energy: -510.080
where: short stacking energy: -211.114
Base-Backbone interact. energy: -0.748
local terms energy: -232.179142
where:
bonds (distance) C4'-P energy: -39.683
bonds (distance) P-C4' energy: -59.269
flat angles C4'-P-C4' energy: -46.823
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -56.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -717.002614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.002614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.002614 (E_RNA)
where:
Base-Base interactions energy: -487.015
where: short stacking energy: -198.061
Base-Backbone interact. energy: -2.137
local terms energy: -227.849917
where:
bonds (distance) C4'-P energy: -43.924
bonds (distance) P-C4' energy: -46.789
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -45.498
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: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -680.673041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.673041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.673041 (E_RNA)
where:
Base-Base interactions energy: -479.595
where: short stacking energy: -191.926
Base-Backbone interact. energy: 0.463
local terms energy: -201.541634
where:
bonds (distance) C4'-P energy: -35.480
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -39.867
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -55.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -521.728285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.728285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.728285 (E_RNA)
where:
Base-Base interactions energy: -332.535
where: short stacking energy: -147.215
Base-Backbone interact. energy: -0.501
local terms energy: -188.692149
where:
bonds (distance) C4'-P energy: -38.872
bonds (distance) P-C4' energy: -46.002
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -22.327
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: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -307.136806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.136806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.136806 (E_RNA)
where:
Base-Base interactions energy: -145.226
where: short stacking energy: -87.731
Base-Backbone interact. energy: 0.326
local terms energy: -162.236935
where:
bonds (distance) C4'-P energy: -51.874
bonds (distance) P-C4' energy: -40.371
flat angles C4'-P-C4' energy: -38.142
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -947.996238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.996238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.996238 (E_RNA)
where:
Base-Base interactions energy: -658.664
where: short stacking energy: -274.973
Base-Backbone interact. energy: -0.636
local terms energy: -288.695723
where:
bonds (distance) C4'-P energy: -44.459
bonds (distance) P-C4' energy: -57.594
flat angles C4'-P-C4' energy: -64.455
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -75.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -940.310683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.310683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.310683 (E_RNA)
where:
Base-Base interactions energy: -646.976
where: short stacking energy: -282.427
Base-Backbone interact. energy: -1.744
local terms energy: -291.590259
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -64.296
flat angles P-C4'-P energy: -37.793
tors. eta vs tors. theta energy: -82.343
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -917.822963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.822963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.822963 (E_RNA)
where:
Base-Base interactions energy: -629.825
where: short stacking energy: -268.184
Base-Backbone interact. energy: -0.420
local terms energy: -287.577218
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -83.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -831.685481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.685481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.685481 (E_RNA)
where:
Base-Base interactions energy: -568.334
where: short stacking energy: -248.721
Base-Backbone interact. energy: -0.985
local terms energy: -262.366092
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -49.924
flat angles C4'-P-C4' energy: -62.507
flat angles P-C4'-P energy: -40.820
tors. eta vs tors. theta energy: -63.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -794.468573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.468573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.468573 (E_RNA)
where:
Base-Base interactions energy: -554.590
where: short stacking energy: -215.731
Base-Backbone interact. energy: -1.267
local terms energy: -238.611846
where:
bonds (distance) C4'-P energy: -45.182
bonds (distance) P-C4' energy: -52.918
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -61.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -780.689504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.689504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.689504 (E_RNA)
where:
Base-Base interactions energy: -526.864
where: short stacking energy: -223.590
Base-Backbone interact. energy: 0.094
local terms energy: -253.919658
where:
bonds (distance) C4'-P energy: -45.251
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -35.650
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: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -727.153275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.153275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.153275 (E_RNA)
where:
Base-Base interactions energy: -503.594
where: short stacking energy: -198.335
Base-Backbone interact. energy: -0.717
local terms energy: -222.842258
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -55.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -687.428315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.428315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.428315 (E_RNA)
where:
Base-Base interactions energy: -470.618
where: short stacking energy: -190.594
Base-Backbone interact. energy: -0.394
local terms energy: -216.416508
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -55.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -561.841419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.841419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.841419 (E_RNA)
where:
Base-Base interactions energy: -362.264
where: short stacking energy: -150.694
Base-Backbone interact. energy: -1.084
local terms energy: -198.492508
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -34.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -281.149323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.149323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.149323 (E_RNA)
where:
Base-Base interactions energy: -124.136
where: short stacking energy: -77.300
Base-Backbone interact. energy: -1.101
local terms energy: -155.912189
where:
bonds (distance) C4'-P energy: -32.950
bonds (distance) P-C4' energy: -49.572
flat angles C4'-P-C4' energy: -52.132
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: 7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -943.543882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.543882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.543882 (E_RNA)
where:
Base-Base interactions energy: -648.205
where: short stacking energy: -274.827
Base-Backbone interact. energy: -1.931
local terms energy: -293.407972
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -66.244
flat angles P-C4'-P energy: -48.845
tors. eta vs tors. theta energy: -71.452
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: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -931.311370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.311370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.311370 (E_RNA)
where:
Base-Base interactions energy: -646.773
where: short stacking energy: -263.292
Base-Backbone interact. energy: -0.422
local terms energy: -284.116442
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -46.994
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -43.495
tors. eta vs tors. theta energy: -80.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -924.191413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.191413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.191413 (E_RNA)
where:
Base-Base interactions energy: -633.005
where: short stacking energy: -277.884
Base-Backbone interact. energy: -0.353
local terms energy: -290.833838
where:
bonds (distance) C4'-P energy: -44.769
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -65.802
flat angles P-C4'-P energy: -47.160
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: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -867.530016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.530016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.530016 (E_RNA)
where:
Base-Base interactions energy: -584.234
where: short stacking energy: -254.193
Base-Backbone interact. energy: -0.033
local terms energy: -283.262789
where:
bonds (distance) C4'-P energy: -48.153
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -61.995
flat angles P-C4'-P energy: -37.514
tors. eta vs tors. theta energy: -81.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -807.545881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.545881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.545881 (E_RNA)
where:
Base-Base interactions energy: -560.790
where: short stacking energy: -232.299
Base-Backbone interact. energy: -0.070
local terms energy: -246.685853
where:
bonds (distance) C4'-P energy: -52.534
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -49.780
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -63.836
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: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -804.375622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.375622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.375622 (E_RNA)
where:
Base-Base interactions energy: -549.967
where: short stacking energy: -248.461
Base-Backbone interact. energy: -0.476
local terms energy: -253.933050
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -45.389
flat angles C4'-P-C4' energy: -53.088
flat angles P-C4'-P energy: -38.262
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: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -744.591473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.591473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.591473 (E_RNA)
where:
Base-Base interactions energy: -513.218
where: short stacking energy: -222.835
Base-Backbone interact. energy: -0.764
local terms energy: -230.609946
where:
bonds (distance) C4'-P energy: -37.465
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -58.220
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: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -700.484945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.484945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.484945 (E_RNA)
where:
Base-Base interactions energy: -466.714
where: short stacking energy: -199.384
Base-Backbone interact. energy: -1.604
local terms energy: -232.167204
where:
bonds (distance) C4'-P energy: -53.104
bonds (distance) P-C4' energy: -38.120
flat angles C4'-P-C4' energy: -50.681
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: -59.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -541.685800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.685800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.685800 (E_RNA)
where:
Base-Base interactions energy: -359.047
where: short stacking energy: -157.984
Base-Backbone interact. energy: -2.015
local terms energy: -180.623424
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -31.320
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: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -303.490580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.490580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.490580 (E_RNA)
where:
Base-Base interactions energy: -161.969
where: short stacking energy: -82.658
Base-Backbone interact. energy: -0.772
local terms energy: -140.749045
where:
bonds (distance) C4'-P energy: -40.584
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: 5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -943.508662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.508662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.508662 (E_RNA)
where:
Base-Base interactions energy: -655.974
where: short stacking energy: -279.971
Base-Backbone interact. energy: 1.247
local terms energy: -288.781154
where:
bonds (distance) C4'-P energy: -47.873
bonds (distance) P-C4' energy: -60.062
flat angles C4'-P-C4' energy: -61.960
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -76.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -944.034023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.034023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.034023 (E_RNA)
where:
Base-Base interactions energy: -655.171
where: short stacking energy: -277.814
Base-Backbone interact. energy: -2.167
local terms energy: -286.695520
where:
bonds (distance) C4'-P energy: -44.846
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -63.421
flat angles P-C4'-P energy: -37.566
tors. eta vs tors. theta energy: -89.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -930.894905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.894905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.894905 (E_RNA)
where:
Base-Base interactions energy: -648.146
where: short stacking energy: -287.092
Base-Backbone interact. energy: -1.262
local terms energy: -281.487561
where:
bonds (distance) C4'-P energy: -50.248
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -89.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -839.358730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.358730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.358730 (E_RNA)
where:
Base-Base interactions energy: -560.331
where: short stacking energy: -241.947
Base-Backbone interact. energy: -0.394
local terms energy: -278.634315
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -58.439
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -77.478
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: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -804.782041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.782041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.782041 (E_RNA)
where:
Base-Base interactions energy: -566.381
where: short stacking energy: -246.746
Base-Backbone interact. energy: -0.569
local terms energy: -237.831772
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -37.036
flat angles C4'-P-C4' energy: -53.594
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -63.609
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: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -762.247348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.247348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.247348 (E_RNA)
where:
Base-Base interactions energy: -509.486
where: short stacking energy: -211.295
Base-Backbone interact. energy: 3.392
local terms energy: -256.153032
where:
bonds (distance) C4'-P energy: -48.723
bonds (distance) P-C4' energy: -57.100
flat angles C4'-P-C4' energy: -52.646
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -54.575
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: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -715.580346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.580346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.580346 (E_RNA)
where:
Base-Base interactions energy: -491.203
where: short stacking energy: -200.228
Base-Backbone interact. energy: 2.258
local terms energy: -226.635328
where:
bonds (distance) C4'-P energy: -47.736
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -56.577
flat angles P-C4'-P energy: -39.682
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -742.475598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.475598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.475598 (E_RNA)
where:
Base-Base interactions energy: -516.419
where: short stacking energy: -223.053
Base-Backbone interact. energy: -1.237
local terms energy: -224.819136
where:
bonds (distance) C4'-P energy: -45.109
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -55.023
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -56.869
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: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -552.864199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.864199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.864199 (E_RNA)
where:
Base-Base interactions energy: -352.732
where: short stacking energy: -150.260
Base-Backbone interact. energy: -1.275
local terms energy: -198.856391
where:
bonds (distance) C4'-P energy: -37.412
bonds (distance) P-C4' energy: -39.271
flat angles C4'-P-C4' energy: -41.368
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -45.823
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: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -319.075673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.075673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.075673 (E_RNA)
where:
Base-Base interactions energy: -147.937
where: short stacking energy: -79.348
Base-Backbone interact. energy: 1.300
local terms energy: -172.438731
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -47.545
flat angles P-C4'-P energy: -26.695
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -955.263731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.263731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.263731 (E_RNA)
where:
Base-Base interactions energy: -660.060
where: short stacking energy: -286.201
Base-Backbone interact. energy: -0.344
local terms energy: -294.859701
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -52.487
flat angles C4'-P-C4' energy: -64.752
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -78.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -919.082945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.082945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.082945 (E_RNA)
where:
Base-Base interactions energy: -634.416
where: short stacking energy: -284.202
Base-Backbone interact. energy: -0.571
local terms energy: -284.096138
where:
bonds (distance) C4'-P energy: -52.302
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -40.088
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: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -925.967027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.967027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.967027 (E_RNA)
where:
Base-Base interactions energy: -640.149
where: short stacking energy: -255.780
Base-Backbone interact. energy: -1.153
local terms energy: -284.665364
where:
bonds (distance) C4'-P energy: -52.523
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -60.440
flat angles P-C4'-P energy: -42.662
tors. eta vs tors. theta energy: -76.401
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: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -837.039365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.039365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.039365 (E_RNA)
where:
Base-Base interactions energy: -568.729
where: short stacking energy: -252.912
Base-Backbone interact. energy: -0.245
local terms energy: -268.065569
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -56.788
flat angles P-C4'-P energy: -40.457
tors. eta vs tors. theta energy: -72.043
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: 177
Temperature: 1.100000
Total energy: -840.123527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.123527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.123527 (E_RNA)
where:
Base-Base interactions energy: -564.907
where: short stacking energy: -247.962
Base-Backbone interact. energy: -0.537
local terms energy: -274.679361
where:
bonds (distance) C4'-P energy: -47.313
bonds (distance) P-C4' energy: -55.183
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -74.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -758.949860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.949860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.949860 (E_RNA)
where:
Base-Base interactions energy: -521.678
where: short stacking energy: -223.356
Base-Backbone interact. energy: -2.244
local terms energy: -235.027964
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -33.806
tors. eta vs tors. theta energy: -60.368
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: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -722.623231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.623231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.623231 (E_RNA)
where:
Base-Base interactions energy: -491.184
where: short stacking energy: -196.532
Base-Backbone interact. energy: -0.065
local terms energy: -231.374403
where:
bonds (distance) C4'-P energy: -49.131
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -56.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -733.873425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.873425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.873425 (E_RNA)
where:
Base-Base interactions energy: -506.520
where: short stacking energy: -204.430
Base-Backbone interact. energy: -0.686
local terms energy: -226.667871
where:
bonds (distance) C4'-P energy: -42.264
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -49.829
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -53.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -560.872329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.872329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.872329 (E_RNA)
where:
Base-Base interactions energy: -353.030
where: short stacking energy: -148.372
Base-Backbone interact. energy: -1.956
local terms energy: -205.887020
where:
bonds (distance) C4'-P energy: -50.397
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -42.733
flat angles P-C4'-P energy: -31.349
tors. eta vs tors. theta energy: -36.430
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: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -354.035781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.035781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.035781 (E_RNA)
where:
Base-Base interactions energy: -176.838
where: short stacking energy: -94.773
Base-Backbone interact. energy: -1.209
local terms energy: -175.989299
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -951.372852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.372852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.372852 (E_RNA)
where:
Base-Base interactions energy: -676.385
where: short stacking energy: -288.579
Base-Backbone interact. energy: -0.864
local terms energy: -274.124068
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -52.995
flat angles C4'-P-C4' energy: -56.369
flat angles P-C4'-P energy: -36.711
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -960.295738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.295738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.295738 (E_RNA)
where:
Base-Base interactions energy: -661.833
where: short stacking energy: -289.710
Base-Backbone interact. energy: -0.661
local terms energy: -297.801073
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -51.986
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -45.851
tors. eta vs tors. theta energy: -88.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -920.919802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.919802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.919802 (E_RNA)
where:
Base-Base interactions energy: -640.806
where: short stacking energy: -272.204
Base-Backbone interact. energy: -0.881
local terms energy: -279.232148
where:
bonds (distance) C4'-P energy: -47.784
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -60.495
flat angles P-C4'-P energy: -37.382
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: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -842.922877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.922877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.922877 (E_RNA)
where:
Base-Base interactions energy: -571.625
where: short stacking energy: -259.923
Base-Backbone interact. energy: -0.400
local terms energy: -270.897937
where:
bonds (distance) C4'-P energy: -46.709
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -58.482
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -75.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -833.376641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.376641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.376641 (E_RNA)
where:
Base-Base interactions energy: -570.350
where: short stacking energy: -251.397
Base-Backbone interact. energy: -0.958
local terms energy: -262.068804
where:
bonds (distance) C4'-P energy: -45.084
bonds (distance) P-C4' energy: -50.593
flat angles C4'-P-C4' energy: -51.024
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -78.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -752.069912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.069912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.069912 (E_RNA)
where:
Base-Base interactions energy: -504.705
where: short stacking energy: -215.119
Base-Backbone interact. energy: 1.374
local terms energy: -248.739154
where:
bonds (distance) C4'-P energy: -57.347
bonds (distance) P-C4' energy: -52.603
flat angles C4'-P-C4' energy: -47.053
flat angles P-C4'-P energy: -35.759
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: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -747.516520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.516520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.516520 (E_RNA)
where:
Base-Base interactions energy: -502.575
where: short stacking energy: -208.658
Base-Backbone interact. energy: -0.493
local terms energy: -244.448631
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -49.109
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -46.655
tors. eta vs tors. theta energy: -53.776
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: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -707.686822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.686822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.686822 (E_RNA)
where:
Base-Base interactions energy: -468.429
where: short stacking energy: -210.740
Base-Backbone interact. energy: -0.411
local terms energy: -238.846624
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -49.136
flat angles C4'-P-C4' energy: -48.967
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -60.368
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: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -555.873509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.873509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.873509 (E_RNA)
where:
Base-Base interactions energy: -351.960
where: short stacking energy: -167.216
Base-Backbone interact. energy: -1.279
local terms energy: -202.633813
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -50.668
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -36.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -343.790968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.790968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.790968 (E_RNA)
where:
Base-Base interactions energy: -193.530
where: short stacking energy: -113.972
Base-Backbone interact. energy: -1.736
local terms energy: -148.524436
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -42.385
flat angles C4'-P-C4' energy: -40.968
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -955.443619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.443619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.443619 (E_RNA)
where:
Base-Base interactions energy: -662.450
where: short stacking energy: -289.190
Base-Backbone interact. energy: -0.416
local terms energy: -292.576979
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -57.018
flat angles C4'-P-C4' energy: -59.586
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -76.127
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -928.603538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.603538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.603538 (E_RNA)
where:
Base-Base interactions energy: -644.396
where: short stacking energy: -286.133
Base-Backbone interact. energy: -0.643
local terms energy: -283.565335
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -55.925
flat angles C4'-P-C4' energy: -60.070
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -85.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -929.540845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.540845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.540845 (E_RNA)
where:
Base-Base interactions energy: -650.537
where: short stacking energy: -279.778
Base-Backbone interact. energy: 1.960
local terms energy: -280.963849
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -65.001
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -83.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -863.273999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.273999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.273999 (E_RNA)
where:
Base-Base interactions energy: -592.122
where: short stacking energy: -267.239
Base-Backbone interact. energy: -0.131
local terms energy: -271.020830
where:
bonds (distance) C4'-P energy: -36.297
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -62.288
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -75.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -830.999447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.999447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.999447 (E_RNA)
where:
Base-Base interactions energy: -589.506
where: short stacking energy: -251.018
Base-Backbone interact. energy: -0.187
local terms energy: -241.306741
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -40.715
flat angles C4'-P-C4' energy: -55.840
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -71.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -783.287934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.287934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.287934 (E_RNA)
where:
Base-Base interactions energy: -535.137
where: short stacking energy: -220.134
Base-Backbone interact. energy: -1.786
local terms energy: -246.365123
where:
bonds (distance) C4'-P energy: -46.280
bonds (distance) P-C4' energy: -48.817
flat angles C4'-P-C4' energy: -57.736
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -59.487
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: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -724.658834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.658834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.658834 (E_RNA)
where:
Base-Base interactions energy: -495.895
where: short stacking energy: -212.136
Base-Backbone interact. energy: 1.079
local terms energy: -229.842910
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -48.017
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -56.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -710.087141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.087141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.087141 (E_RNA)
where:
Base-Base interactions energy: -484.014
where: short stacking energy: -202.145
Base-Backbone interact. energy: -0.865
local terms energy: -225.207673
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -51.129
flat angles C4'-P-C4' energy: -44.913
flat angles P-C4'-P energy: -36.463
tors. eta vs tors. theta energy: -52.082
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: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -514.796109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.796109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.796109 (E_RNA)
where:
Base-Base interactions energy: -332.709
where: short stacking energy: -142.866
Base-Backbone interact. energy: -0.052
local terms energy: -182.035085
where:
bonds (distance) C4'-P energy: -45.788
bonds (distance) P-C4' energy: -41.424
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -29.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -346.476812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.476812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.476812 (E_RNA)
where:
Base-Base interactions energy: -194.159
where: short stacking energy: -94.030
Base-Backbone interact. energy: 0.094
local terms energy: -152.411590
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -944.877380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.877380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.877380 (E_RNA)
where:
Base-Base interactions energy: -649.539
where: short stacking energy: -284.794
Base-Backbone interact. energy: -2.161
local terms energy: -293.177326
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -50.764
flat angles C4'-P-C4' energy: -64.083
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -80.655
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: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -916.470617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.470617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.470617 (E_RNA)
where:
Base-Base interactions energy: -630.895
where: short stacking energy: -264.789
Base-Backbone interact. energy: 1.655
local terms energy: -287.230678
where:
bonds (distance) C4'-P energy: -56.552
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -58.867
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -79.815
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: 180
Temperature: 1.000000
Total energy: -911.447028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.447028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.447028 (E_RNA)
where:
Base-Base interactions energy: -645.805
where: short stacking energy: -275.629
Base-Backbone interact. energy: -1.849
local terms energy: -263.792526
where:
bonds (distance) C4'-P energy: -39.516
bonds (distance) P-C4' energy: -48.423
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -77.344
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: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -854.083128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.083128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.083128 (E_RNA)
where:
Base-Base interactions energy: -571.144
where: short stacking energy: -260.680
Base-Backbone interact. energy: -0.550
local terms energy: -282.389249
where:
bonds (distance) C4'-P energy: -55.547
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -43.114
tors. eta vs tors. theta energy: -74.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -828.199984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.199984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.199984 (E_RNA)
where:
Base-Base interactions energy: -583.608
where: short stacking energy: -238.219
Base-Backbone interact. energy: 1.301
local terms energy: -245.892864
where:
bonds (distance) C4'-P energy: -48.400
bonds (distance) P-C4' energy: -47.351
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -31.608
tors. eta vs tors. theta energy: -66.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -783.075309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.075309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.075309 (E_RNA)
where:
Base-Base interactions energy: -543.691
where: short stacking energy: -241.753
Base-Backbone interact. energy: 0.054
local terms energy: -239.438345
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -43.537
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -25.458
tors. eta vs tors. theta energy: -71.733
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: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -724.318874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.318874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.318874 (E_RNA)
where:
Base-Base interactions energy: -494.212
where: short stacking energy: -206.967
Base-Backbone interact. energy: -0.383
local terms energy: -229.724250
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -40.006
flat angles C4'-P-C4' energy: -40.438
flat angles P-C4'-P energy: -40.434
tors. eta vs tors. theta energy: -60.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -701.704698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.704698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.704698 (E_RNA)
where:
Base-Base interactions energy: -500.534
where: short stacking energy: -223.942
Base-Backbone interact. energy: -0.013
local terms energy: -201.157750
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -52.616
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: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -491.445941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.445941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.445941 (E_RNA)
where:
Base-Base interactions energy: -327.229
where: short stacking energy: -133.691
Base-Backbone interact. energy: -2.241
local terms energy: -161.975586
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -47.649
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -23.231
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: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -209.119736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.119736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.119736 (E_RNA)
where:
Base-Base interactions energy: -68.696
where: short stacking energy: -64.265
Base-Backbone interact. energy: 0.574
local terms energy: -140.997493
where:
bonds (distance) C4'-P energy: -46.741
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -21.520
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: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -953.555463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.555463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.555463 (E_RNA)
where:
Base-Base interactions energy: -664.420
where: short stacking energy: -289.326
Base-Backbone interact. energy: -0.247
local terms energy: -288.888552
where:
bonds (distance) C4'-P energy: -54.158
bonds (distance) P-C4' energy: -56.056
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: -74.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -926.564804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.564804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.564804 (E_RNA)
where:
Base-Base interactions energy: -640.216
where: short stacking energy: -270.467
Base-Backbone interact. energy: -0.135
local terms energy: -286.213542
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -62.602
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -82.618
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: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -916.623454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.623454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.623454 (E_RNA)
where:
Base-Base interactions energy: -633.396
where: short stacking energy: -286.071
Base-Backbone interact. energy: -0.422
local terms energy: -282.806179
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -54.834
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -86.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -870.533137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.533137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.533137 (E_RNA)
where:
Base-Base interactions energy: -592.790
where: short stacking energy: -256.011
Base-Backbone interact. energy: -1.284
local terms energy: -276.458948
where:
bonds (distance) C4'-P energy: -46.530
bonds (distance) P-C4' energy: -55.057
flat angles C4'-P-C4' energy: -55.608
flat angles P-C4'-P energy: -45.400
tors. eta vs tors. theta energy: -73.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -828.841771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.841771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.841771 (E_RNA)
where:
Base-Base interactions energy: -568.456
where: short stacking energy: -245.848
Base-Backbone interact. energy: 0.487
local terms energy: -260.873241
where:
bonds (distance) C4'-P energy: -47.798
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -58.958
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -72.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -748.543881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.543881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.543881 (E_RNA)
where:
Base-Base interactions energy: -503.050
where: short stacking energy: -234.207
Base-Backbone interact. energy: -0.289
local terms energy: -245.204727
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -43.598
flat angles C4'-P-C4' energy: -56.642
flat angles P-C4'-P energy: -35.205
tors. eta vs tors. theta energy: -60.186
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -747.242104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.242104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.242104 (E_RNA)
where:
Base-Base interactions energy: -515.092
where: short stacking energy: -220.646
Base-Backbone interact. energy: -0.240
local terms energy: -231.909651
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -43.424
flat angles C4'-P-C4' energy: -52.498
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -63.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -712.742451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.742451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.742451 (E_RNA)
where:
Base-Base interactions energy: -475.770
where: short stacking energy: -199.567
Base-Backbone interact. energy: 2.225
local terms energy: -239.197310
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -46.231
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -60.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -496.957184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.957184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.957184 (E_RNA)
where:
Base-Base interactions energy: -325.257
where: short stacking energy: -151.999
Base-Backbone interact. energy: -0.906
local terms energy: -170.794272
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -39.916
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -32.943
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -239.410554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.410554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.410554 (E_RNA)
where:
Base-Base interactions energy: -67.978
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.760
local terms energy: -170.672331
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -44.590
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -1.717
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: 182
Temperature: 0.900000
Total energy: -964.235805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.235805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.235805 (E_RNA)
where:
Base-Base interactions energy: -683.137
where: short stacking energy: -285.220
Base-Backbone interact. energy: -1.017
local terms energy: -280.081483
where:
bonds (distance) C4'-P energy: -46.493
bonds (distance) P-C4' energy: -55.876
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -78.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -938.644105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.644105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.644105 (E_RNA)
where:
Base-Base interactions energy: -646.115
where: short stacking energy: -262.836
Base-Backbone interact. energy: -1.302
local terms energy: -291.227394
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -55.276
flat angles C4'-P-C4' energy: -59.917
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -86.581
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -908.170607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.170607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.170607 (E_RNA)
where:
Base-Base interactions energy: -616.176
where: short stacking energy: -273.628
Base-Backbone interact. energy: -0.527
local terms energy: -291.467627
where:
bonds (distance) C4'-P energy: -55.076
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -58.212
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: -83.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -855.493822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.493822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.493822 (E_RNA)
where:
Base-Base interactions energy: -583.748
where: short stacking energy: -241.901
Base-Backbone interact. energy: 1.570
local terms energy: -273.315869
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -62.985
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -74.193
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: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -826.094452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.094452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.094452 (E_RNA)
where:
Base-Base interactions energy: -570.460
where: short stacking energy: -254.005
Base-Backbone interact. energy: 0.082
local terms energy: -255.716477
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -67.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -747.829567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.829567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.829567 (E_RNA)
where:
Base-Base interactions energy: -509.192
where: short stacking energy: -218.498
Base-Backbone interact. energy: -0.654
local terms energy: -237.983935
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -33.280
tors. eta vs tors. theta energy: -63.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -743.994039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.994039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.994039 (E_RNA)
where:
Base-Base interactions energy: -508.274
where: short stacking energy: -206.113
Base-Backbone interact. energy: 0.802
local terms energy: -236.522890
where:
bonds (distance) C4'-P energy: -39.328
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -55.053
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: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -704.414082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.414082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.414082 (E_RNA)
where:
Base-Base interactions energy: -474.458
where: short stacking energy: -181.681
Base-Backbone interact. energy: 0.065
local terms energy: -230.020945
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -50.039
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -51.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -514.230670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.230670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.230670 (E_RNA)
where:
Base-Base interactions energy: -321.692
where: short stacking energy: -143.477
Base-Backbone interact. energy: -0.093
local terms energy: -192.445864
where:
bonds (distance) C4'-P energy: -40.850
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -231.184684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.184684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.184684 (E_RNA)
where:
Base-Base interactions energy: -86.976
where: short stacking energy: -60.977
Base-Backbone interact. energy: -1.111
local terms energy: -143.098358
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: 6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -956.435948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.435948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.435948 (E_RNA)
where:
Base-Base interactions energy: -658.526
where: short stacking energy: -283.629
Base-Backbone interact. energy: -1.181
local terms energy: -296.728988
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -81.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -950.907024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.907024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.907024 (E_RNA)
where:
Base-Base interactions energy: -651.479
where: short stacking energy: -282.575
Base-Backbone interact. energy: -0.895
local terms energy: -298.532648
where:
bonds (distance) C4'-P energy: -54.821
bonds (distance) P-C4' energy: -60.878
flat angles C4'-P-C4' energy: -58.892
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -86.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -897.996222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.996222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.996222 (E_RNA)
where:
Base-Base interactions energy: -615.989
where: short stacking energy: -264.719
Base-Backbone interact. energy: -0.631
local terms energy: -281.376250
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -80.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -855.722855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.722855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.722855 (E_RNA)
where:
Base-Base interactions energy: -581.543
where: short stacking energy: -249.517
Base-Backbone interact. energy: -0.281
local terms energy: -273.899061
where:
bonds (distance) C4'-P energy: -56.964
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -73.827
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: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -817.165818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.165818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.165818 (E_RNA)
where:
Base-Base interactions energy: -562.446
where: short stacking energy: -239.986
Base-Backbone interact. energy: 2.352
local terms energy: -257.071797
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -68.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -760.675627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.675627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.675627 (E_RNA)
where:
Base-Base interactions energy: -515.918
where: short stacking energy: -217.130
Base-Backbone interact. energy: 1.650
local terms energy: -246.407866
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -50.373
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -64.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -725.420399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.420399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.420399 (E_RNA)
where:
Base-Base interactions energy: -513.438
where: short stacking energy: -214.620
Base-Backbone interact. energy: -1.586
local terms energy: -210.395886
where:
bonds (distance) C4'-P energy: -49.418
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -57.026
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: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -696.026489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.026489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.026489 (E_RNA)
where:
Base-Base interactions energy: -481.511
where: short stacking energy: -185.083
Base-Backbone interact. energy: 0.199
local terms energy: -214.714813
where:
bonds (distance) C4'-P energy: -44.675
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -35.342
tors. eta vs tors. theta energy: -50.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -481.991628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.991628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.991628 (E_RNA)
where:
Base-Base interactions energy: -294.017
where: short stacking energy: -127.967
Base-Backbone interact. energy: 2.916
local terms energy: -190.890737
where:
bonds (distance) C4'-P energy: -39.225
bonds (distance) P-C4' energy: -51.524
flat angles C4'-P-C4' energy: -42.851
flat angles P-C4'-P energy: -24.995
tors. eta vs tors. theta energy: -32.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -228.820842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.820842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.820842 (E_RNA)
where:
Base-Base interactions energy: -68.072
where: short stacking energy: -60.757
Base-Backbone interact. energy: 1.701
local terms energy: -162.450416
where:
bonds (distance) C4'-P energy: -51.427
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -34.143
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -975.280776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.280776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.280776 (E_RNA)
where:
Base-Base interactions energy: -672.482
where: short stacking energy: -279.404
Base-Backbone interact. energy: -0.300
local terms energy: -302.498627
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -59.612
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -86.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -921.613938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.613938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.613938 (E_RNA)
where:
Base-Base interactions energy: -660.749
where: short stacking energy: -273.754
Base-Backbone interact. energy: -1.056
local terms energy: -259.809479
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -46.440
flat angles C4'-P-C4' energy: -58.574
flat angles P-C4'-P energy: -35.975
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: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -893.129616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.129616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.129616 (E_RNA)
where:
Base-Base interactions energy: -596.263
where: short stacking energy: -273.742
Base-Backbone interact. energy: -1.863
local terms energy: -295.003452
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -57.009
flat angles C4'-P-C4' energy: -57.468
flat angles P-C4'-P energy: -49.537
tors. eta vs tors. theta energy: -81.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -830.458144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.458144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.458144 (E_RNA)
where:
Base-Base interactions energy: -564.735
where: short stacking energy: -245.411
Base-Backbone interact. energy: -0.894
local terms energy: -264.829165
where:
bonds (distance) C4'-P energy: -41.607
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -62.924
flat angles P-C4'-P energy: -38.323
tors. eta vs tors. theta energy: -69.672
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: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -828.162492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.162492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.162492 (E_RNA)
where:
Base-Base interactions energy: -565.646
where: short stacking energy: -248.826
Base-Backbone interact. energy: -0.527
local terms energy: -261.989299
where:
bonds (distance) C4'-P energy: -42.915
bonds (distance) P-C4' energy: -53.696
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -42.611
tors. eta vs tors. theta energy: -72.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -755.786406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.786406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.786406 (E_RNA)
where:
Base-Base interactions energy: -515.833
where: short stacking energy: -230.841
Base-Backbone interact. energy: -0.298
local terms energy: -239.654908
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -61.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -729.635558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.635558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.635558 (E_RNA)
where:
Base-Base interactions energy: -488.354
where: short stacking energy: -198.342
Base-Backbone interact. energy: -0.346
local terms energy: -240.936080
where:
bonds (distance) C4'-P energy: -55.648
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -51.321
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -57.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -727.757905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.757905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.757905 (E_RNA)
where:
Base-Base interactions energy: -484.643
where: short stacking energy: -212.328
Base-Backbone interact. energy: -0.779
local terms energy: -242.336039
where:
bonds (distance) C4'-P energy: -46.549
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -52.792
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -61.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -499.621383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.621383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.621383 (E_RNA)
where:
Base-Base interactions energy: -313.895
where: short stacking energy: -147.055
Base-Backbone interact. energy: -2.002
local terms energy: -183.724158
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -41.499
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -25.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -231.579124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.579124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.579124 (E_RNA)
where:
Base-Base interactions energy: -89.882
where: short stacking energy: -84.821
Base-Backbone interact. energy: 4.034
local terms energy: -145.730575
where:
bonds (distance) C4'-P energy: -34.298
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -47.766
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -977.117356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.117356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.117356 (E_RNA)
where:
Base-Base interactions energy: -696.375
where: short stacking energy: -293.401
Base-Backbone interact. energy: -0.788
local terms energy: -279.954780
where:
bonds (distance) C4'-P energy: -48.606
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -84.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -938.518497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.518497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.518497 (E_RNA)
where:
Base-Base interactions energy: -671.305
where: short stacking energy: -274.144
Base-Backbone interact. energy: 0.100
local terms energy: -267.313125
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -57.363
flat angles P-C4'-P energy: -42.013
tors. eta vs tors. theta energy: -77.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -893.845475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.845475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.845475 (E_RNA)
where:
Base-Base interactions energy: -617.484
where: short stacking energy: -269.462
Base-Backbone interact. energy: -1.227
local terms energy: -275.134494
where:
bonds (distance) C4'-P energy: -39.348
bonds (distance) P-C4' energy: -54.505
flat angles C4'-P-C4' energy: -60.843
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -82.892
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: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -879.652754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.652754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.652754 (E_RNA)
where:
Base-Base interactions energy: -601.418
where: short stacking energy: -270.494
Base-Backbone interact. energy: -1.393
local terms energy: -276.841535
where:
bonds (distance) C4'-P energy: -52.613
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -36.820
tors. eta vs tors. theta energy: -76.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -838.445750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.445750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.445750 (E_RNA)
where:
Base-Base interactions energy: -566.957
where: short stacking energy: -232.114
Base-Backbone interact. energy: -1.245
local terms energy: -270.242987
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -54.706
flat angles C4'-P-C4' energy: -58.012
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -76.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -755.775234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.775234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.775234 (E_RNA)
where:
Base-Base interactions energy: -525.909
where: short stacking energy: -218.809
Base-Backbone interact. energy: -0.458
local terms energy: -229.407696
where:
bonds (distance) C4'-P energy: -46.258
bonds (distance) P-C4' energy: -43.010
flat angles C4'-P-C4' energy: -55.834
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -56.668
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: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -726.967250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.967250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.967250 (E_RNA)
where:
Base-Base interactions energy: -488.878
where: short stacking energy: -200.736
Base-Backbone interact. energy: -1.310
local terms energy: -236.778466
where:
bonds (distance) C4'-P energy: -40.361
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -50.596
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -54.923
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: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -671.455233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.455233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.455233 (E_RNA)
where:
Base-Base interactions energy: -446.226
where: short stacking energy: -210.168
Base-Backbone interact. energy: -0.810
local terms energy: -224.419552
where:
bonds (distance) C4'-P energy: -46.881
bonds (distance) P-C4' energy: -47.147
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -57.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -555.201169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.201169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.201169 (E_RNA)
where:
Base-Base interactions energy: -352.918
where: short stacking energy: -155.917
Base-Backbone interact. energy: -0.819
local terms energy: -201.464028
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -50.234
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: -28.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -221.381249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.381249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.381249 (E_RNA)
where:
Base-Base interactions energy: -80.657
where: short stacking energy: -66.040
Base-Backbone interact. energy: 1.370
local terms energy: -142.094481
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -45.916
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -1.069
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: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -969.007717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.007717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.007717 (E_RNA)
where:
Base-Base interactions energy: -674.430
where: short stacking energy: -287.104
Base-Backbone interact. energy: -1.944
local terms energy: -292.633192
where:
bonds (distance) C4'-P energy: -50.046
bonds (distance) P-C4' energy: -56.551
flat angles C4'-P-C4' energy: -64.552
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -85.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -926.500688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.500688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.500688 (E_RNA)
where:
Base-Base interactions energy: -652.859
where: short stacking energy: -276.724
Base-Backbone interact. energy: 1.763
local terms energy: -275.404703
where:
bonds (distance) C4'-P energy: -56.070
bonds (distance) P-C4' energy: -51.206
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -31.664
tors. eta vs tors. theta energy: -74.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -916.027731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.027731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.027731 (E_RNA)
where:
Base-Base interactions energy: -632.851
where: short stacking energy: -270.233
Base-Backbone interact. energy: 0.753
local terms energy: -283.929613
where:
bonds (distance) C4'-P energy: -47.700
bonds (distance) P-C4' energy: -56.665
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -83.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -875.995745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.995745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.995745 (E_RNA)
where:
Base-Base interactions energy: -593.298
where: short stacking energy: -258.320
Base-Backbone interact. energy: -0.705
local terms energy: -281.992449
where:
bonds (distance) C4'-P energy: -53.380
bonds (distance) P-C4' energy: -53.941
flat angles C4'-P-C4' energy: -65.957
flat angles P-C4'-P energy: -32.829
tors. eta vs tors. theta energy: -75.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -799.887695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.887695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.887695 (E_RNA)
where:
Base-Base interactions energy: -540.241
where: short stacking energy: -232.609
Base-Backbone interact. energy: -0.375
local terms energy: -259.271556
where:
bonds (distance) C4'-P energy: -51.008
bonds (distance) P-C4' energy: -48.288
flat angles C4'-P-C4' energy: -53.737
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -69.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -798.360033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.360033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.360033 (E_RNA)
where:
Base-Base interactions energy: -571.020
where: short stacking energy: -241.015
Base-Backbone interact. energy: 0.206
local terms energy: -227.546671
where:
bonds (distance) C4'-P energy: -33.355
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: -64.413
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: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -697.254832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.254832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.254832 (E_RNA)
where:
Base-Base interactions energy: -473.944
where: short stacking energy: -202.077
Base-Backbone interact. energy: -0.026
local terms energy: -223.284301
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -44.888
flat angles C4'-P-C4' energy: -51.084
flat angles P-C4'-P energy: -31.605
tors. eta vs tors. theta energy: -48.179
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -713.276644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.276644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.276644 (E_RNA)
where:
Base-Base interactions energy: -477.070
where: short stacking energy: -198.424
Base-Backbone interact. energy: -0.907
local terms energy: -235.299439
where:
bonds (distance) C4'-P energy: -42.710
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -35.104
tors. eta vs tors. theta energy: -54.384
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: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -548.739429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.739429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.739429 (E_RNA)
where:
Base-Base interactions energy: -353.908
where: short stacking energy: -162.271
Base-Backbone interact. energy: 0.379
local terms energy: -195.210270
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -51.498
flat angles C4'-P-C4' energy: -50.485
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -272.539660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.539660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.539660 (E_RNA)
where:
Base-Base interactions energy: -129.826
where: short stacking energy: -65.002
Base-Backbone interact. energy: -1.995
local terms energy: -140.718724
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -40.852
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: 3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -969.785061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.785061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.785061 (E_RNA)
where:
Base-Base interactions energy: -674.182
where: short stacking energy: -285.975
Base-Backbone interact. energy: -1.418
local terms energy: -294.185553
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -39.626
tors. eta vs tors. theta energy: -89.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -936.083735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.083735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.083735 (E_RNA)
where:
Base-Base interactions energy: -644.743
where: short stacking energy: -281.139
Base-Backbone interact. energy: -1.861
local terms energy: -289.480391
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: -88.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -938.681788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.681788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.681788 (E_RNA)
where:
Base-Base interactions energy: -664.334
where: short stacking energy: -267.304
Base-Backbone interact. energy: -2.831
local terms energy: -271.517315
where:
bonds (distance) C4'-P energy: -50.946
bonds (distance) P-C4' energy: -51.169
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -71.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -860.606093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.606093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.606093 (E_RNA)
where:
Base-Base interactions energy: -585.538
where: short stacking energy: -253.903
Base-Backbone interact. energy: 0.283
local terms energy: -275.351459
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -75.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -798.191492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.191492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.191492 (E_RNA)
where:
Base-Base interactions energy: -555.287
where: short stacking energy: -233.268
Base-Backbone interact. energy: 0.002
local terms energy: -242.907022
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -52.421
flat angles C4'-P-C4' energy: -50.221
flat angles P-C4'-P energy: -33.616
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: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -794.169964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.169964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.169964 (E_RNA)
where:
Base-Base interactions energy: -549.149
where: short stacking energy: -227.568
Base-Backbone interact. energy: 2.494
local terms energy: -247.515041
where:
bonds (distance) C4'-P energy: -49.413
bonds (distance) P-C4' energy: -47.873
flat angles C4'-P-C4' energy: -60.360
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -62.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -693.278218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.278218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.278218 (E_RNA)
where:
Base-Base interactions energy: -481.577
where: short stacking energy: -193.677
Base-Backbone interact. energy: -0.177
local terms energy: -211.524286
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -40.835
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -49.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -682.725830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.725830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.725830 (E_RNA)
where:
Base-Base interactions energy: -483.875
where: short stacking energy: -203.851
Base-Backbone interact. energy: 4.113
local terms energy: -202.963521
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -53.464
flat angles C4'-P-C4' energy: -43.353
flat angles P-C4'-P energy: -26.193
tors. eta vs tors. theta energy: -44.274
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: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -552.250328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.250328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.250328 (E_RNA)
where:
Base-Base interactions energy: -360.911
where: short stacking energy: -168.418
Base-Backbone interact. energy: -0.798
local terms energy: -190.541903
where:
bonds (distance) C4'-P energy: -43.912
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -43.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -277.094735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.094735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.094735 (E_RNA)
where:
Base-Base interactions energy: -119.553
where: short stacking energy: -78.014
Base-Backbone interact. energy: -1.015
local terms energy: -156.526825
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -59.870
flat angles C4'-P-C4' energy: -43.917
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: 4.442
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: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -963.256835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.256835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.256835 (E_RNA)
where:
Base-Base interactions energy: -662.497
where: short stacking energy: -288.025
Base-Backbone interact. energy: -1.837
local terms energy: -298.922104
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -61.686
flat angles P-C4'-P energy: -50.053
tors. eta vs tors. theta energy: -88.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -924.035275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.035275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.035275 (E_RNA)
where:
Base-Base interactions energy: -637.086
where: short stacking energy: -294.977
Base-Backbone interact. energy: -0.438
local terms energy: -286.511248
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -50.061
flat angles C4'-P-C4' energy: -58.429
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -85.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -912.645781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.645781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.645781 (E_RNA)
where:
Base-Base interactions energy: -641.491
where: short stacking energy: -259.555
Base-Backbone interact. energy: -1.037
local terms energy: -270.117624
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -54.871
flat angles C4'-P-C4' energy: -60.796
flat angles P-C4'-P energy: -34.644
tors. eta vs tors. theta energy: -73.569
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: 188
Temperature: 1.050000
Total energy: -845.686122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.686122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.686122 (E_RNA)
where:
Base-Base interactions energy: -571.828
where: short stacking energy: -253.215
Base-Backbone interact. energy: -1.161
local terms energy: -272.696948
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -53.194
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -70.605
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: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -796.691213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.691213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.691213 (E_RNA)
where:
Base-Base interactions energy: -547.059
where: short stacking energy: -232.557
Base-Backbone interact. energy: 0.047
local terms energy: -249.679709
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -39.550
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -750.642887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.642887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.642887 (E_RNA)
where:
Base-Base interactions energy: -509.984
where: short stacking energy: -213.974
Base-Backbone interact. energy: -0.673
local terms energy: -239.985295
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -42.947
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -58.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -725.702419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.702419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.702419 (E_RNA)
where:
Base-Base interactions energy: -487.511
where: short stacking energy: -210.624
Base-Backbone interact. energy: -0.958
local terms energy: -237.233447
where:
bonds (distance) C4'-P energy: -36.522
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -61.509
flat angles P-C4'-P energy: -33.322
tors. eta vs tors. theta energy: -54.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -723.880894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.880894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.880894 (E_RNA)
where:
Base-Base interactions energy: -488.696
where: short stacking energy: -199.782
Base-Backbone interact. energy: -0.995
local terms energy: -234.189616
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -48.833
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -59.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -547.271461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.271461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.271461 (E_RNA)
where:
Base-Base interactions energy: -355.440
where: short stacking energy: -144.114
Base-Backbone interact. energy: 2.053
local terms energy: -193.884004
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -55.251
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -294.229208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.229208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.229208 (E_RNA)
where:
Base-Base interactions energy: -150.614
where: short stacking energy: -76.782
Base-Backbone interact. energy: -0.945
local terms energy: -142.669602
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -47.925
flat angles C4'-P-C4' energy: -39.426
flat angles P-C4'-P energy: -23.660
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: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -965.235063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.235063 (E_RNA)
where:
Base-Base interactions energy: -653.871
where: short stacking energy: -285.617
Base-Backbone interact. energy: -0.771
local terms energy: -310.592769
where:
bonds (distance) C4'-P energy: -58.526
bonds (distance) P-C4' energy: -54.584
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -45.719
tors. eta vs tors. theta energy: -90.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -924.486524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.486524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.486524 (E_RNA)
where:
Base-Base interactions energy: -657.748
where: short stacking energy: -266.685
Base-Backbone interact. energy: -1.119
local terms energy: -265.619078
where:
bonds (distance) C4'-P energy: -38.451
bonds (distance) P-C4' energy: -60.224
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -73.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -893.743729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.743729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.743729 (E_RNA)
where:
Base-Base interactions energy: -603.919
where: short stacking energy: -250.635
Base-Backbone interact. energy: -0.465
local terms energy: -289.359380
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -58.736
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -44.313
tors. eta vs tors. theta energy: -76.387
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -828.456651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.456651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.456651 (E_RNA)
where:
Base-Base interactions energy: -566.906
where: short stacking energy: -252.939
Base-Backbone interact. energy: 3.306
local terms energy: -264.856626
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -50.401
flat angles C4'-P-C4' energy: -55.558
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -74.399
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -820.508526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.508526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.508526 (E_RNA)
where:
Base-Base interactions energy: -560.382
where: short stacking energy: -242.613
Base-Backbone interact. energy: 0.150
local terms energy: -260.277100
where:
bonds (distance) C4'-P energy: -50.570
bonds (distance) P-C4' energy: -38.876
flat angles C4'-P-C4' energy: -61.709
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -73.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -764.238018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.238018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.238018 (E_RNA)
where:
Base-Base interactions energy: -530.636
where: short stacking energy: -229.923
Base-Backbone interact. energy: -0.542
local terms energy: -233.060668
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -64.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -729.086926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.086926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.086926 (E_RNA)
where:
Base-Base interactions energy: -497.867
where: short stacking energy: -197.006
Base-Backbone interact. energy: -1.535
local terms energy: -229.684545
where:
bonds (distance) C4'-P energy: -42.166
bonds (distance) P-C4' energy: -36.899
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -34.491
tors. eta vs tors. theta energy: -57.458
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: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -718.207834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.207834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.207834 (E_RNA)
where:
Base-Base interactions energy: -482.462
where: short stacking energy: -217.473
Base-Backbone interact. energy: 0.537
local terms energy: -236.283276
where:
bonds (distance) C4'-P energy: -39.622
bonds (distance) P-C4' energy: -51.059
flat angles C4'-P-C4' energy: -48.260
flat angles P-C4'-P energy: -32.490
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: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -541.732991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.732991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.732991 (E_RNA)
where:
Base-Base interactions energy: -359.170
where: short stacking energy: -152.880
Base-Backbone interact. energy: -1.116
local terms energy: -181.447082
where:
bonds (distance) C4'-P energy: -52.601
bonds (distance) P-C4' energy: -35.056
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -36.964
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: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -295.369494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.369494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.369494 (E_RNA)
where:
Base-Base interactions energy: -152.843
where: short stacking energy: -93.211
Base-Backbone interact. energy: -0.270
local terms energy: -142.256123
where:
bonds (distance) C4'-P energy: -41.590
bonds (distance) P-C4' energy: -44.938
flat angles C4'-P-C4' energy: -36.896
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -962.385063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.385063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.385063 (E_RNA)
where:
Base-Base interactions energy: -658.643
where: short stacking energy: -298.869
Base-Backbone interact. energy: -0.777
local terms energy: -302.965423
where:
bonds (distance) C4'-P energy: -52.769
bonds (distance) P-C4' energy: -52.295
flat angles C4'-P-C4' energy: -64.723
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: -88.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -925.275869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.275869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.275869 (E_RNA)
where:
Base-Base interactions energy: -655.887
where: short stacking energy: -273.145
Base-Backbone interact. energy: 0.349
local terms energy: -269.737177
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -54.605
flat angles C4'-P-C4' energy: -52.989
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -76.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -910.445817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.445817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.445817 (E_RNA)
where:
Base-Base interactions energy: -620.191
where: short stacking energy: -265.920
Base-Backbone interact. energy: -0.000
local terms energy: -290.254298
where:
bonds (distance) C4'-P energy: -45.140
bonds (distance) P-C4' energy: -57.792
flat angles C4'-P-C4' energy: -57.984
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: -85.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -816.782211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.782211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.782211 (E_RNA)
where:
Base-Base interactions energy: -565.737
where: short stacking energy: -248.494
Base-Backbone interact. energy: -1.082
local terms energy: -249.963418
where:
bonds (distance) C4'-P energy: -44.739
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -72.623
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -817.102995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.102995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.102995 (E_RNA)
where:
Base-Base interactions energy: -557.066
where: short stacking energy: -240.879
Base-Backbone interact. energy: -1.042
local terms energy: -258.994767
where:
bonds (distance) C4'-P energy: -53.492
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -56.801
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -65.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -764.840115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.840115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.840115 (E_RNA)
where:
Base-Base interactions energy: -515.570
where: short stacking energy: -229.922
Base-Backbone interact. energy: -2.173
local terms energy: -247.097690
where:
bonds (distance) C4'-P energy: -34.546
bonds (distance) P-C4' energy: -51.553
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -71.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -747.609795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.609795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.609795 (E_RNA)
where:
Base-Base interactions energy: -495.659
where: short stacking energy: -204.263
Base-Backbone interact. energy: -0.843
local terms energy: -251.107729
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -61.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -698.625994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.625994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.625994 (E_RNA)
where:
Base-Base interactions energy: -492.973
where: short stacking energy: -207.794
Base-Backbone interact. energy: -0.978
local terms energy: -204.674426
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -43.509
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -51.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -543.599940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.599940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.599940 (E_RNA)
where:
Base-Base interactions energy: -357.047
where: short stacking energy: -144.363
Base-Backbone interact. energy: -0.054
local terms energy: -186.498951
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -43.837
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -279.868734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.868734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.868734 (E_RNA)
where:
Base-Base interactions energy: -132.893
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.020
local terms energy: -146.956220
where:
bonds (distance) C4'-P energy: -37.595
bonds (distance) P-C4' energy: -45.520
flat angles C4'-P-C4' energy: -49.503
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: 6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -969.859247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.859247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.859247 (E_RNA)
where:
Base-Base interactions energy: -669.101
where: short stacking energy: -284.132
Base-Backbone interact. energy: 0.127
local terms energy: -300.885840
where:
bonds (distance) C4'-P energy: -53.473
bonds (distance) P-C4' energy: -57.291
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -91.139
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: 191
Temperature: 0.950000
Total energy: -918.118934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.118934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.118934 (E_RNA)
where:
Base-Base interactions energy: -636.785
where: short stacking energy: -269.215
Base-Backbone interact. energy: -1.028
local terms energy: -280.305095
where:
bonds (distance) C4'-P energy: -51.496
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -53.145
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -73.726
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: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -906.354219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.354219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.354219 (E_RNA)
where:
Base-Base interactions energy: -626.896
where: short stacking energy: -294.925
Base-Backbone interact. energy: -1.712
local terms energy: -277.746461
where:
bonds (distance) C4'-P energy: -44.539
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -60.509
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -87.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -847.943462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.943462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.943462 (E_RNA)
where:
Base-Base interactions energy: -578.001
where: short stacking energy: -263.917
Base-Backbone interact. energy: -0.215
local terms energy: -269.727530
where:
bonds (distance) C4'-P energy: -41.886
bonds (distance) P-C4' energy: -52.092
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -68.653
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: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -802.027148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.027148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.027148 (E_RNA)
where:
Base-Base interactions energy: -551.119
where: short stacking energy: -232.070
Base-Backbone interact. energy: -0.204
local terms energy: -250.703471
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -49.391
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -69.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -783.533610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.533610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.533610 (E_RNA)
where:
Base-Base interactions energy: -544.109
where: short stacking energy: -233.261
Base-Backbone interact. energy: -0.524
local terms energy: -238.900552
where:
bonds (distance) C4'-P energy: -42.018
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -34.931
tors. eta vs tors. theta energy: -58.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -752.430570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.430570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.430570 (E_RNA)
where:
Base-Base interactions energy: -515.675
where: short stacking energy: -217.904
Base-Backbone interact. energy: -0.075
local terms energy: -236.680637
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -59.201
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -55.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -675.686823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.686823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.686823 (E_RNA)
where:
Base-Base interactions energy: -473.453
where: short stacking energy: -199.393
Base-Backbone interact. energy: 1.238
local terms energy: -203.471682
where:
bonds (distance) C4'-P energy: -42.549
bonds (distance) P-C4' energy: -47.085
flat angles C4'-P-C4' energy: -44.813
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -40.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -537.650693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.650693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.650693 (E_RNA)
where:
Base-Base interactions energy: -343.861
where: short stacking energy: -137.385
Base-Backbone interact. energy: -1.727
local terms energy: -192.062383
where:
bonds (distance) C4'-P energy: -53.418
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -281.748627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.748627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.748627 (E_RNA)
where:
Base-Base interactions energy: -122.828
where: short stacking energy: -81.576
Base-Backbone interact. energy: 1.382
local terms energy: -160.302740
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -46.345
flat angles C4'-P-C4' energy: -46.801
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: 0.113
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: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -968.776694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.776694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.776694 (E_RNA)
where:
Base-Base interactions energy: -666.460
where: short stacking energy: -293.272
Base-Backbone interact. energy: 0.113
local terms energy: -302.429600
where:
bonds (distance) C4'-P energy: -50.150
bonds (distance) P-C4' energy: -59.207
flat angles C4'-P-C4' energy: -61.925
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: -89.969
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: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -905.711926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.711926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.711926 (E_RNA)
where:
Base-Base interactions energy: -638.025
where: short stacking energy: -279.326
Base-Backbone interact. energy: -0.664
local terms energy: -267.022994
where:
bonds (distance) C4'-P energy: -43.029
bonds (distance) P-C4' energy: -56.202
flat angles C4'-P-C4' energy: -52.175
flat angles P-C4'-P energy: -40.178
tors. eta vs tors. theta energy: -75.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -913.028560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.028560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.028560 (E_RNA)
where:
Base-Base interactions energy: -618.191
where: short stacking energy: -276.444
Base-Backbone interact. energy: -1.058
local terms energy: -293.779876
where:
bonds (distance) C4'-P energy: -45.106
bonds (distance) P-C4' energy: -56.085
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -87.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -844.798859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.798859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.798859 (E_RNA)
where:
Base-Base interactions energy: -572.705
where: short stacking energy: -260.810
Base-Backbone interact. energy: -0.869
local terms energy: -271.224894
where:
bonds (distance) C4'-P energy: -50.320
bonds (distance) P-C4' energy: -56.520
flat angles C4'-P-C4' energy: -58.242
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -68.431
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: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -799.873524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.873524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.873524 (E_RNA)
where:
Base-Base interactions energy: -543.047
where: short stacking energy: -233.381
Base-Backbone interact. energy: -0.794
local terms energy: -256.031742
where:
bonds (distance) C4'-P energy: -41.232
bonds (distance) P-C4' energy: -50.841
flat angles C4'-P-C4' energy: -56.636
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -65.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -773.730951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.730951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.730951 (E_RNA)
where:
Base-Base interactions energy: -548.166
where: short stacking energy: -199.641
Base-Backbone interact. energy: -1.501
local terms energy: -224.064057
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -38.085
flat angles C4'-P-C4' energy: -52.553
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -54.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -714.619226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.619226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.619226 (E_RNA)
where:
Base-Base interactions energy: -480.717
where: short stacking energy: -201.844
Base-Backbone interact. energy: -0.427
local terms energy: -233.475287
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -50.133
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -52.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -683.153114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.153114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.153114 (E_RNA)
where:
Base-Base interactions energy: -452.628
where: short stacking energy: -183.141
Base-Backbone interact. energy: -0.374
local terms energy: -230.151188
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -47.122
flat angles C4'-P-C4' energy: -58.553
flat angles P-C4'-P energy: -28.168
tors. eta vs tors. theta energy: -52.133
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: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -538.578655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.578655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.578655 (E_RNA)
where:
Base-Base interactions energy: -343.033
where: short stacking energy: -140.754
Base-Backbone interact. energy: -1.352
local terms energy: -194.193748
where:
bonds (distance) C4'-P energy: -55.395
bonds (distance) P-C4' energy: -42.623
flat angles C4'-P-C4' energy: -44.361
flat angles P-C4'-P energy: -26.577
tors. eta vs tors. theta energy: -25.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -283.548196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.548196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.548196 (E_RNA)
where:
Base-Base interactions energy: -126.460
where: short stacking energy: -85.370
Base-Backbone interact. energy: 0.372
local terms energy: -157.460310
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -23.884
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -960.614408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.614408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.614408 (E_RNA)
where:
Base-Base interactions energy: -669.801
where: short stacking energy: -288.063
Base-Backbone interact. energy: -0.741
local terms energy: -290.071817
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -57.736
flat angles C4'-P-C4' energy: -62.833
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -83.360
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: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -946.871682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.871682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.871682 (E_RNA)
where:
Base-Base interactions energy: -648.722
where: short stacking energy: -280.717
Base-Backbone interact. energy: -0.416
local terms energy: -297.733538
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -58.619
flat angles C4'-P-C4' energy: -56.625
flat angles P-C4'-P energy: -39.946
tors. eta vs tors. theta energy: -89.660
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: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -899.183358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.183358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.183358 (E_RNA)
where:
Base-Base interactions energy: -627.400
where: short stacking energy: -256.009
Base-Backbone interact. energy: -0.286
local terms energy: -271.497047
where:
bonds (distance) C4'-P energy: -44.008
bonds (distance) P-C4' energy: -53.691
flat angles C4'-P-C4' energy: -59.112
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -74.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -805.589615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.589615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.589615 (E_RNA)
where:
Base-Base interactions energy: -562.432
where: short stacking energy: -240.736
Base-Backbone interact. energy: -0.979
local terms energy: -242.178320
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -51.314
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -61.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -816.258990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.258990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.258990 (E_RNA)
where:
Base-Base interactions energy: -546.065
where: short stacking energy: -238.504
Base-Backbone interact. energy: -1.785
local terms energy: -268.409318
where:
bonds (distance) C4'-P energy: -59.945
bonds (distance) P-C4' energy: -52.289
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -64.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -805.737327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.737327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.737327 (E_RNA)
where:
Base-Base interactions energy: -564.815
where: short stacking energy: -239.792
Base-Backbone interact. energy: -1.836
local terms energy: -239.086804
where:
bonds (distance) C4'-P energy: -44.934
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -30.152
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -733.297643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.297643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.297643 (E_RNA)
where:
Base-Base interactions energy: -511.677
where: short stacking energy: -209.307
Base-Backbone interact. energy: -0.187
local terms energy: -221.434102
where:
bonds (distance) C4'-P energy: -42.586
bonds (distance) P-C4' energy: -48.377
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -55.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -680.418610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.418610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.418610 (E_RNA)
where:
Base-Base interactions energy: -473.472
where: short stacking energy: -198.706
Base-Backbone interact. energy: -1.655
local terms energy: -205.292089
where:
bonds (distance) C4'-P energy: -49.916
bonds (distance) P-C4' energy: -41.325
flat angles C4'-P-C4' energy: -47.503
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -46.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -542.433335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.433335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.433335 (E_RNA)
where:
Base-Base interactions energy: -367.216
where: short stacking energy: -154.227
Base-Backbone interact. energy: -0.130
local terms energy: -175.087774
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -48.726
flat angles C4'-P-C4' energy: -49.000
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -28.049
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: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -307.551667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.551667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.551667 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -93.971
Base-Backbone interact. energy: -0.249
local terms energy: -176.938590
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -54.646
flat angles C4'-P-C4' energy: -37.257
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -4.324
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: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -942.132166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.132166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.132166 (E_RNA)
where:
Base-Base interactions energy: -655.645
where: short stacking energy: -298.372
Base-Backbone interact. energy: 0.156
local terms energy: -286.644120
where:
bonds (distance) C4'-P energy: -45.434
bonds (distance) P-C4' energy: -50.078
flat angles C4'-P-C4' energy: -66.214
flat angles P-C4'-P energy: -38.557
tors. eta vs tors. theta energy: -86.361
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: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -937.766759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.766759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.766759 (E_RNA)
where:
Base-Base interactions energy: -649.841
where: short stacking energy: -278.760
Base-Backbone interact. energy: -1.215
local terms energy: -286.710531
where:
bonds (distance) C4'-P energy: -45.419
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -84.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -888.528561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.528561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.528561 (E_RNA)
where:
Base-Base interactions energy: -620.957
where: short stacking energy: -261.203
Base-Backbone interact. energy: 0.073
local terms energy: -267.645528
where:
bonds (distance) C4'-P energy: -49.334
bonds (distance) P-C4' energy: -51.971
flat angles C4'-P-C4' energy: -53.426
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -71.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -807.663691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.663691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.663691 (E_RNA)
where:
Base-Base interactions energy: -539.179
where: short stacking energy: -211.453
Base-Backbone interact. energy: -2.109
local terms energy: -266.376063
where:
bonds (distance) C4'-P energy: -48.720
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -55.932
flat angles P-C4'-P energy: -45.426
tors. eta vs tors. theta energy: -62.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -807.793728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.793728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.793728 (E_RNA)
where:
Base-Base interactions energy: -558.199
where: short stacking energy: -227.763
Base-Backbone interact. energy: -1.574
local terms energy: -248.021210
where:
bonds (distance) C4'-P energy: -46.269
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -50.776
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -66.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -795.007020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.007020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.007020 (E_RNA)
where:
Base-Base interactions energy: -552.743
where: short stacking energy: -234.496
Base-Backbone interact. energy: -0.282
local terms energy: -241.981667
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -47.035
flat angles P-C4'-P energy: -37.768
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -731.984960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.984960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.984960 (E_RNA)
where:
Base-Base interactions energy: -494.533
where: short stacking energy: -215.596
Base-Backbone interact. energy: -0.800
local terms energy: -236.651429
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -46.479
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -54.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -665.176913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.176913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.176913 (E_RNA)
where:
Base-Base interactions energy: -447.989
where: short stacking energy: -175.562
Base-Backbone interact. energy: -2.024
local terms energy: -215.163848
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -44.908
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -522.306855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.306855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.306855 (E_RNA)
where:
Base-Base interactions energy: -310.931
where: short stacking energy: -148.808
Base-Backbone interact. energy: -3.875
local terms energy: -207.500682
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -45.889
flat angles C4'-P-C4' energy: -42.643
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -37.351
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: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -292.739483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.739483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.739483 (E_RNA)
where:
Base-Base interactions energy: -141.794
where: short stacking energy: -90.909
Base-Backbone interact. energy: 0.651
local terms energy: -151.596145
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -928.243658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.243658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.243658 (E_RNA)
where:
Base-Base interactions energy: -632.594
where: short stacking energy: -273.110
Base-Backbone interact. energy: -0.411
local terms energy: -295.239223
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -59.524
flat angles C4'-P-C4' energy: -60.426
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -81.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -922.059932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.059932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.059932 (E_RNA)
where:
Base-Base interactions energy: -631.550
where: short stacking energy: -270.107
Base-Backbone interact. energy: -0.774
local terms energy: -289.736209
where:
bonds (distance) C4'-P energy: -57.388
bonds (distance) P-C4' energy: -56.678
flat angles C4'-P-C4' energy: -59.030
flat angles P-C4'-P energy: -44.746
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: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -927.413048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.413048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.413048 (E_RNA)
where:
Base-Base interactions energy: -645.700
where: short stacking energy: -261.699
Base-Backbone interact. energy: -1.586
local terms energy: -280.127072
where:
bonds (distance) C4'-P energy: -57.199
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -55.775
flat angles P-C4'-P energy: -35.045
tors. eta vs tors. theta energy: -77.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -873.918742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.918742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.918742 (E_RNA)
where:
Base-Base interactions energy: -603.341
where: short stacking energy: -257.465
Base-Backbone interact. energy: -0.973
local terms energy: -269.605389
where:
bonds (distance) C4'-P energy: -54.347
bonds (distance) P-C4' energy: -45.604
flat angles C4'-P-C4' energy: -58.916
flat angles P-C4'-P energy: -37.590
tors. eta vs tors. theta energy: -73.149
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: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -803.285464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.285464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.285464 (E_RNA)
where:
Base-Base interactions energy: -561.307
where: short stacking energy: -233.539
Base-Backbone interact. energy: 1.009
local terms energy: -242.987331
where:
bonds (distance) C4'-P energy: -46.427
bonds (distance) P-C4' energy: -47.273
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -69.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -760.566666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.566666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.566666 (E_RNA)
where:
Base-Base interactions energy: -516.463
where: short stacking energy: -227.973
Base-Backbone interact. energy: -0.760
local terms energy: -243.343678
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -49.489
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -65.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -774.591927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.591927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.591927 (E_RNA)
where:
Base-Base interactions energy: -536.467
where: short stacking energy: -241.167
Base-Backbone interact. energy: -1.509
local terms energy: -236.615562
where:
bonds (distance) C4'-P energy: -43.044
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -33.374
tors. eta vs tors. theta energy: -66.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -716.547180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.547180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.547180 (E_RNA)
where:
Base-Base interactions energy: -487.637
where: short stacking energy: -207.120
Base-Backbone interact. energy: -0.973
local terms energy: -227.937193
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -48.174
flat angles C4'-P-C4' energy: -47.633
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -495.586538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.586538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.586538 (E_RNA)
where:
Base-Base interactions energy: -307.360
where: short stacking energy: -143.073
Base-Backbone interact. energy: -0.885
local terms energy: -187.341075
where:
bonds (distance) C4'-P energy: -36.627
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -49.285
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -31.097
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: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -282.360057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.360057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.360057 (E_RNA)
where:
Base-Base interactions energy: -116.693
where: short stacking energy: -83.197
Base-Backbone interact. energy: 2.220
local terms energy: -167.886738
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -3.792
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: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -929.484563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.484563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.484563 (E_RNA)
where:
Base-Base interactions energy: -641.721
where: short stacking energy: -277.659
Base-Backbone interact. energy: -1.222
local terms energy: -286.542433
where:
bonds (distance) C4'-P energy: -47.136
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -60.198
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -87.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -919.089570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.089570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.089570 (E_RNA)
where:
Base-Base interactions energy: -634.542
where: short stacking energy: -277.371
Base-Backbone interact. energy: -0.256
local terms energy: -284.290960
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -57.196
flat angles P-C4'-P energy: -42.116
tors. eta vs tors. theta energy: -84.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -922.714277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.714277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.714277 (E_RNA)
where:
Base-Base interactions energy: -634.464
where: short stacking energy: -253.380
Base-Backbone interact. energy: -1.258
local terms energy: -286.992817
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -57.795
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -44.165
tors. eta vs tors. theta energy: -81.842
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: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -844.924005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.924005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.924005 (E_RNA)
where:
Base-Base interactions energy: -581.260
where: short stacking energy: -243.830
Base-Backbone interact. energy: -0.932
local terms energy: -262.732330
where:
bonds (distance) C4'-P energy: -51.657
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -49.649
flat angles P-C4'-P energy: -39.772
tors. eta vs tors. theta energy: -65.696
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: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -795.654242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.654242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.654242 (E_RNA)
where:
Base-Base interactions energy: -542.689
where: short stacking energy: -224.646
Base-Backbone interact. energy: -0.914
local terms energy: -252.050745
where:
bonds (distance) C4'-P energy: -59.203
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -53.079
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -60.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -776.810342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.810342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.810342 (E_RNA)
where:
Base-Base interactions energy: -535.480
where: short stacking energy: -223.285
Base-Backbone interact. energy: 3.553
local terms energy: -244.883876
where:
bonds (distance) C4'-P energy: -47.445
bonds (distance) P-C4' energy: -48.843
flat angles C4'-P-C4' energy: -49.980
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -64.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -790.593766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.593766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.593766 (E_RNA)
where:
Base-Base interactions energy: -541.880
where: short stacking energy: -244.741
Base-Backbone interact. energy: -1.068
local terms energy: -247.645955
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -56.247
flat angles P-C4'-P energy: -39.454
tors. eta vs tors. theta energy: -60.515
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -711.923856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.923856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.923856 (E_RNA)
where:
Base-Base interactions energy: -498.042
where: short stacking energy: -200.820
Base-Backbone interact. energy: 1.655
local terms energy: -215.537375
where:
bonds (distance) C4'-P energy: -36.125
bonds (distance) P-C4' energy: -48.820
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -55.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -519.090687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.090687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.090687 (E_RNA)
where:
Base-Base interactions energy: -325.881
where: short stacking energy: -150.253
Base-Backbone interact. energy: 1.264
local terms energy: -194.473651
where:
bonds (distance) C4'-P energy: -47.502
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -327.306427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.306427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.306427 (E_RNA)
where:
Base-Base interactions energy: -171.251
where: short stacking energy: -105.833
Base-Backbone interact. energy: -1.646
local terms energy: -154.408692
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -11.061
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: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -955.649089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.649089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.649089 (E_RNA)
where:
Base-Base interactions energy: -656.678
where: short stacking energy: -287.954
Base-Backbone interact. energy: -0.431
local terms energy: -298.539722
where:
bonds (distance) C4'-P energy: -63.219
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -61.718
flat angles P-C4'-P energy: -41.212
tors. eta vs tors. theta energy: -91.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -938.213925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.213925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.213925 (E_RNA)
where:
Base-Base interactions energy: -654.092
where: short stacking energy: -277.867
Base-Backbone interact. energy: -0.302
local terms energy: -283.819778
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -85.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -906.966825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.966825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.966825 (E_RNA)
where:
Base-Base interactions energy: -628.299
where: short stacking energy: -270.277
Base-Backbone interact. energy: -0.727
local terms energy: -277.941009
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -49.902
flat angles C4'-P-C4' energy: -59.344
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -77.984
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: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -863.874464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.874464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.874464 (E_RNA)
where:
Base-Base interactions energy: -601.858
where: short stacking energy: -253.098
Base-Backbone interact. energy: -0.969
local terms energy: -261.047670
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -47.477
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -77.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -812.521577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.521577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.521577 (E_RNA)
where:
Base-Base interactions energy: -567.026
where: short stacking energy: -233.508
Base-Backbone interact. energy: 0.313
local terms energy: -245.808955
where:
bonds (distance) C4'-P energy: -52.417
bonds (distance) P-C4' energy: -53.092
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -62.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -827.378188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.378188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.378188 (E_RNA)
where:
Base-Base interactions energy: -558.436
where: short stacking energy: -239.850
Base-Backbone interact. energy: -1.058
local terms energy: -267.884802
where:
bonds (distance) C4'-P energy: -51.126
bonds (distance) P-C4' energy: -48.775
flat angles C4'-P-C4' energy: -60.768
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -68.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -741.835578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.835578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.835578 (E_RNA)
where:
Base-Base interactions energy: -504.446
where: short stacking energy: -210.349
Base-Backbone interact. energy: -0.689
local terms energy: -236.700196
where:
bonds (distance) C4'-P energy: -41.207
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -55.292
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -54.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -678.660640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.660640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.660640 (E_RNA)
where:
Base-Base interactions energy: -468.383
where: short stacking energy: -191.402
Base-Backbone interact. energy: -0.507
local terms energy: -209.769797
where:
bonds (distance) C4'-P energy: -46.643
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -47.096
flat angles P-C4'-P energy: -32.025
tors. eta vs tors. theta energy: -38.852
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: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -512.591339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.591339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.591339 (E_RNA)
where:
Base-Base interactions energy: -331.539
where: short stacking energy: -158.725
Base-Backbone interact. energy: -1.410
local terms energy: -179.642471
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -29.244
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: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -283.106126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.106126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.106126 (E_RNA)
where:
Base-Base interactions energy: -115.613
where: short stacking energy: -79.829
Base-Backbone interact. energy: 0.766
local terms energy: -168.258622
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -973.328100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.328100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.328100 (E_RNA)
where:
Base-Base interactions energy: -680.766
where: short stacking energy: -288.630
Base-Backbone interact. energy: -0.677
local terms energy: -291.884518
where:
bonds (distance) C4'-P energy: -51.370
bonds (distance) P-C4' energy: -52.984
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -87.038
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: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -946.800705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.800705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.800705 (E_RNA)
where:
Base-Base interactions energy: -655.896
where: short stacking energy: -288.122
Base-Backbone interact. energy: 0.428
local terms energy: -291.332894
where:
bonds (distance) C4'-P energy: -54.224
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -58.897
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -81.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -902.942427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.942427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.942427 (E_RNA)
where:
Base-Base interactions energy: -627.239
where: short stacking energy: -272.569
Base-Backbone interact. energy: -0.780
local terms energy: -274.923804
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -51.626
flat angles C4'-P-C4' energy: -57.681
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -73.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -861.435488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.435488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.435488 (E_RNA)
where:
Base-Base interactions energy: -596.821
where: short stacking energy: -245.594
Base-Backbone interact. energy: -0.275
local terms energy: -264.339074
where:
bonds (distance) C4'-P energy: -51.873
bonds (distance) P-C4' energy: -44.449
flat angles C4'-P-C4' energy: -63.673
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -69.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -810.802277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.802277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.802277 (E_RNA)
where:
Base-Base interactions energy: -550.694
where: short stacking energy: -232.733
Base-Backbone interact. energy: -0.747
local terms energy: -259.361281
where:
bonds (distance) C4'-P energy: -52.100
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -71.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -761.007752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.007752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.007752 (E_RNA)
where:
Base-Base interactions energy: -528.801
where: short stacking energy: -228.676
Base-Backbone interact. energy: -0.789
local terms energy: -231.417954
where:
bonds (distance) C4'-P energy: -44.966
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: -61.266
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: 198
Temperature: 1.200000
Total energy: -740.046186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.046186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.046186 (E_RNA)
where:
Base-Base interactions energy: -504.017
where: short stacking energy: -202.886
Base-Backbone interact. energy: -0.615
local terms energy: -235.413631
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -48.680
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -55.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -680.947333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.947333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.947333 (E_RNA)
where:
Base-Base interactions energy: -474.645
where: short stacking energy: -190.089
Base-Backbone interact. energy: -0.573
local terms energy: -205.729669
where:
bonds (distance) C4'-P energy: -50.962
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -45.296
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -520.538257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.538257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.538257 (E_RNA)
where:
Base-Base interactions energy: -331.932
where: short stacking energy: -139.485
Base-Backbone interact. energy: 1.904
local terms energy: -190.510736
where:
bonds (distance) C4'-P energy: -49.584
bonds (distance) P-C4' energy: -39.768
flat angles C4'-P-C4' energy: -37.190
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -29.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -310.378951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.378951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.378951 (E_RNA)
where:
Base-Base interactions energy: -141.819
where: short stacking energy: -84.323
Base-Backbone interact. energy: 2.937
local terms energy: -171.496649
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -47.847
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -971.169375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.169375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.169375 (E_RNA)
where:
Base-Base interactions energy: -674.585
where: short stacking energy: -289.293
Base-Backbone interact. energy: -0.775
local terms energy: -295.809780
where:
bonds (distance) C4'-P energy: -53.304
bonds (distance) P-C4' energy: -56.458
flat angles C4'-P-C4' energy: -62.177
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -83.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -910.904376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.904376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.904376 (E_RNA)
where:
Base-Base interactions energy: -630.659
where: short stacking energy: -276.460
Base-Backbone interact. energy: -0.872
local terms energy: -279.373395
where:
bonds (distance) C4'-P energy: -50.806
bonds (distance) P-C4' energy: -54.998
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -77.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -915.181920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.181920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.181920 (E_RNA)
where:
Base-Base interactions energy: -637.136
where: short stacking energy: -279.451
Base-Backbone interact. energy: -0.797
local terms energy: -277.249494
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -57.291
flat angles C4'-P-C4' energy: -54.055
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -86.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -870.174489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.174489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.174489 (E_RNA)
where:
Base-Base interactions energy: -597.447
where: short stacking energy: -260.924
Base-Backbone interact. energy: 0.279
local terms energy: -273.006241
where:
bonds (distance) C4'-P energy: -46.850
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -82.149
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: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -851.897259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.897259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.897259 (E_RNA)
where:
Base-Base interactions energy: -595.496
where: short stacking energy: -245.696
Base-Backbone interact. energy: 2.223
local terms energy: -258.624778
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -52.722
flat angles P-C4'-P energy: -38.317
tors. eta vs tors. theta energy: -78.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -743.100668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.100668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.100668 (E_RNA)
where:
Base-Base interactions energy: -503.375
where: short stacking energy: -232.225
Base-Backbone interact. energy: -0.463
local terms energy: -239.262440
where:
bonds (distance) C4'-P energy: -44.140
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -60.355
flat angles P-C4'-P energy: -32.217
tors. eta vs tors. theta energy: -68.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -747.059864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.059864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.059864 (E_RNA)
where:
Base-Base interactions energy: -488.142
where: short stacking energy: -203.511
Base-Backbone interact. energy: -0.567
local terms energy: -258.351051
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -53.843
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -44.812
tors. eta vs tors. theta energy: -55.657
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -685.813155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.813155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.813155 (E_RNA)
where:
Base-Base interactions energy: -463.733
where: short stacking energy: -190.632
Base-Backbone interact. energy: -0.994
local terms energy: -221.086364
where:
bonds (distance) C4'-P energy: -47.584
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -47.274
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -42.991
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: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -522.786746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.786746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.786746 (E_RNA)
where:
Base-Base interactions energy: -314.855
where: short stacking energy: -142.827
Base-Backbone interact. energy: -1.952
local terms energy: -205.980238
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -50.927
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -289.635646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.635646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.635646 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -82.107
Base-Backbone interact. energy: -1.375
local terms energy: -154.426475
where:
bonds (distance) C4'-P energy: -43.681
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -45.030
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: 5.054
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: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -972.084010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.084010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.084010 (E_RNA)
where:
Base-Base interactions energy: -673.326
where: short stacking energy: -276.702
Base-Backbone interact. energy: -1.224
local terms energy: -297.534249
where:
bonds (distance) C4'-P energy: -54.787
bonds (distance) P-C4' energy: -58.457
flat angles C4'-P-C4' energy: -61.063
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -84.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -921.707095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.707095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.707095 (E_RNA)
where:
Base-Base interactions energy: -652.928
where: short stacking energy: -278.372
Base-Backbone interact. energy: 0.466
local terms energy: -269.244811
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -51.671
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -77.011
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -909.645929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.645929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.645929 (E_RNA)
where:
Base-Base interactions energy: -632.120
where: short stacking energy: -268.477
Base-Backbone interact. energy: -0.976
local terms energy: -276.549429
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -47.841
flat angles C4'-P-C4' energy: -59.253
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: -76.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -833.271300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.271300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.271300 (E_RNA)
where:
Base-Base interactions energy: -572.957
where: short stacking energy: -239.535
Base-Backbone interact. energy: 0.393
local terms energy: -260.707685
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -38.935
tors. eta vs tors. theta energy: -64.478
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: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -833.891926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.891926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.891926 (E_RNA)
where:
Base-Base interactions energy: -569.488
where: short stacking energy: -254.070
Base-Backbone interact. energy: -1.528
local terms energy: -262.876379
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -56.830
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -69.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -759.924865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.924865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.924865 (E_RNA)
where:
Base-Base interactions energy: -518.006
where: short stacking energy: -235.879
Base-Backbone interact. energy: -0.021
local terms energy: -241.898460
where:
bonds (distance) C4'-P energy: -41.726
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -63.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -733.239894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.239894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.239894 (E_RNA)
where:
Base-Base interactions energy: -489.348
where: short stacking energy: -202.757
Base-Backbone interact. energy: 0.748
local terms energy: -244.639887
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -54.652
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -58.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -686.851724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.851724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.851724 (E_RNA)
where:
Base-Base interactions energy: -472.732
where: short stacking energy: -201.947
Base-Backbone interact. energy: -0.796
local terms energy: -213.323626
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -46.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -528.475130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.475130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.475130 (E_RNA)
where:
Base-Base interactions energy: -342.430
where: short stacking energy: -147.415
Base-Backbone interact. energy: -0.173
local terms energy: -185.871762
where:
bonds (distance) C4'-P energy: -47.222
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -44.109
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -28.174
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: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -282.334465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.334465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.334465 (E_RNA)
where:
Base-Base interactions energy: -131.486
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.501
local terms energy: -150.347229
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -43.905
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -1.471
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: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -959.162954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.162954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.162954 (E_RNA)
where:
Base-Base interactions energy: -659.311
where: short stacking energy: -280.574
Base-Backbone interact. energy: -0.037
local terms energy: -299.814647
where:
bonds (distance) C4'-P energy: -54.747
bonds (distance) P-C4' energy: -55.548
flat angles C4'-P-C4' energy: -57.169
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -87.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -940.211848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.211848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.211848 (E_RNA)
where:
Base-Base interactions energy: -652.088
where: short stacking energy: -275.966
Base-Backbone interact. energy: -0.877
local terms energy: -287.246919
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -60.302
flat angles C4'-P-C4' energy: -57.630
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -79.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -905.566678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.566678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.566678 (E_RNA)
where:
Base-Base interactions energy: -633.071
where: short stacking energy: -267.304
Base-Backbone interact. energy: -0.422
local terms energy: -272.073113
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -73.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -842.709343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.709343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.709343 (E_RNA)
where:
Base-Base interactions energy: -570.910
where: short stacking energy: -241.127
Base-Backbone interact. energy: -0.097
local terms energy: -271.701959
where:
bonds (distance) C4'-P energy: -50.844
bonds (distance) P-C4' energy: -48.970
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -40.387
tors. eta vs tors. theta energy: -72.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -827.469662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.469662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.469662 (E_RNA)
where:
Base-Base interactions energy: -548.326
where: short stacking energy: -230.426
Base-Backbone interact. energy: 0.903
local terms energy: -280.046135
where:
bonds (distance) C4'-P energy: -57.880
bonds (distance) P-C4' energy: -52.374
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -41.129
tors. eta vs tors. theta energy: -73.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -746.507035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.507035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.507035 (E_RNA)
where:
Base-Base interactions energy: -508.389
where: short stacking energy: -219.969
Base-Backbone interact. energy: 0.929
local terms energy: -239.046585
where:
bonds (distance) C4'-P energy: -37.829
bonds (distance) P-C4' energy: -52.657
flat angles C4'-P-C4' energy: -53.130
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -59.208
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: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -723.961798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.961798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.961798 (E_RNA)
where:
Base-Base interactions energy: -496.470
where: short stacking energy: -195.951
Base-Backbone interact. energy: 0.282
local terms energy: -227.773045
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -59.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -648.636434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.636434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.636434 (E_RNA)
where:
Base-Base interactions energy: -456.437
where: short stacking energy: -190.204
Base-Backbone interact. energy: 1.623
local terms energy: -193.821654
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -53.365
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -37.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -463.293598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.293598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.293598 (E_RNA)
where:
Base-Base interactions energy: -300.661
where: short stacking energy: -129.439
Base-Backbone interact. energy: 4.715
local terms energy: -167.348118
where:
bonds (distance) C4'-P energy: -38.082
bonds (distance) P-C4' energy: -39.620
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -292.878839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.878839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.878839 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -86.374
Base-Backbone interact. energy: -1.040
local terms energy: -148.886477
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: 2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -961.086718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.086718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.086718 (E_RNA)
where:
Base-Base interactions energy: -661.949
where: short stacking energy: -289.892
Base-Backbone interact. energy: 1.169
local terms energy: -300.307294
where:
bonds (distance) C4'-P energy: -49.929
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -64.306
flat angles P-C4'-P energy: -40.828
tors. eta vs tors. theta energy: -84.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -944.391740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.391740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.391740 (E_RNA)
where:
Base-Base interactions energy: -656.870
where: short stacking energy: -283.334
Base-Backbone interact. energy: -1.163
local terms energy: -286.359221
where:
bonds (distance) C4'-P energy: -53.856
bonds (distance) P-C4' energy: -43.595
flat angles C4'-P-C4' energy: -64.349
flat angles P-C4'-P energy: -43.495
tors. eta vs tors. theta energy: -81.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -885.747514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.747514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.747514 (E_RNA)
where:
Base-Base interactions energy: -619.364
where: short stacking energy: -262.496
Base-Backbone interact. energy: -0.603
local terms energy: -265.780496
where:
bonds (distance) C4'-P energy: -45.433
bonds (distance) P-C4' energy: -53.208
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -40.635
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: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -838.288014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.288014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.288014 (E_RNA)
where:
Base-Base interactions energy: -577.494
where: short stacking energy: -252.501
Base-Backbone interact. energy: -0.757
local terms energy: -260.037272
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -67.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -827.101524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.101524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.101524 (E_RNA)
where:
Base-Base interactions energy: -573.053
where: short stacking energy: -234.196
Base-Backbone interact. energy: 0.452
local terms energy: -254.500735
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -61.326
flat angles C4'-P-C4' energy: -55.560
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -66.688
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: 202
Temperature: 1.150000
Total energy: -773.795434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.795434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.795434 (E_RNA)
where:
Base-Base interactions energy: -524.630
where: short stacking energy: -207.904
Base-Backbone interact. energy: -1.683
local terms energy: -247.482815
where:
bonds (distance) C4'-P energy: -48.852
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -36.341
tors. eta vs tors. theta energy: -58.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -769.722952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.722952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.722952 (E_RNA)
where:
Base-Base interactions energy: -535.232
where: short stacking energy: -230.067
Base-Backbone interact. energy: -0.094
local terms energy: -234.397360
where:
bonds (distance) C4'-P energy: -34.104
bonds (distance) P-C4' energy: -45.768
flat angles C4'-P-C4' energy: -52.097
flat angles P-C4'-P energy: -35.366
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: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -662.487650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.487650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.487650 (E_RNA)
where:
Base-Base interactions energy: -445.200
where: short stacking energy: -189.704
Base-Backbone interact. energy: -0.510
local terms energy: -216.777596
where:
bonds (distance) C4'-P energy: -42.917
bonds (distance) P-C4' energy: -39.757
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -32.871
tors. eta vs tors. theta energy: -49.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -488.749441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.749441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.749441 (E_RNA)
where:
Base-Base interactions energy: -287.146
where: short stacking energy: -148.569
Base-Backbone interact. energy: 0.511
local terms energy: -202.114177
where:
bonds (distance) C4'-P energy: -49.325
bonds (distance) P-C4' energy: -46.672
flat angles C4'-P-C4' energy: -45.957
flat angles P-C4'-P energy: -33.773
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: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -278.978059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.978059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.978059 (E_RNA)
where:
Base-Base interactions energy: -128.160
where: short stacking energy: -89.902
Base-Backbone interact. energy: -1.536
local terms energy: -149.282393
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: 5.358
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: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -979.861917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.861917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.861917 (E_RNA)
where:
Base-Base interactions energy: -691.992
where: short stacking energy: -291.698
Base-Backbone interact. energy: -0.623
local terms energy: -287.246463
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -56.181
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -959.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.963824 (E_RNA)
where:
Base-Base interactions energy: -659.023
where: short stacking energy: -298.564
Base-Backbone interact. energy: -1.302
local terms energy: -299.638599
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -52.132
flat angles C4'-P-C4' energy: -58.312
flat angles P-C4'-P energy: -48.086
tors. eta vs tors. theta energy: -88.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -899.599087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.599087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.599087 (E_RNA)
where:
Base-Base interactions energy: -626.718
where: short stacking energy: -265.980
Base-Backbone interact. energy: 0.007
local terms energy: -272.888649
where:
bonds (distance) C4'-P energy: -50.040
bonds (distance) P-C4' energy: -51.625
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -46.728
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: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -831.381478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.381478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.381478 (E_RNA)
where:
Base-Base interactions energy: -565.733
where: short stacking energy: -243.782
Base-Backbone interact. energy: -1.626
local terms energy: -264.023328
where:
bonds (distance) C4'-P energy: -44.496
bonds (distance) P-C4' energy: -57.221
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -69.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -830.976194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.976194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.976194 (E_RNA)
where:
Base-Base interactions energy: -565.650
where: short stacking energy: -239.012
Base-Backbone interact. energy: -0.257
local terms energy: -265.068796
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -49.991
flat angles C4'-P-C4' energy: -53.786
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -71.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -750.514768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.514768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.514768 (E_RNA)
where:
Base-Base interactions energy: -514.940
where: short stacking energy: -217.095
Base-Backbone interact. energy: -1.190
local terms energy: -234.384575
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -50.850
flat angles C4'-P-C4' energy: -52.492
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -53.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -759.517556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.517556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.517556 (E_RNA)
where:
Base-Base interactions energy: -501.904
where: short stacking energy: -222.749
Base-Backbone interact. energy: -1.146
local terms energy: -256.467196
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -42.588
tors. eta vs tors. theta energy: -70.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -670.576081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.576081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.576081 (E_RNA)
where:
Base-Base interactions energy: -462.067
where: short stacking energy: -185.727
Base-Backbone interact. energy: 2.129
local terms energy: -210.637486
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -40.045
flat angles C4'-P-C4' energy: -51.009
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -47.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -484.133671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.133671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.133671 (E_RNA)
where:
Base-Base interactions energy: -283.968
where: short stacking energy: -143.736
Base-Backbone interact. energy: -0.955
local terms energy: -199.210315
where:
bonds (distance) C4'-P energy: -41.271
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -49.554
flat angles P-C4'-P energy: -38.000
tors. eta vs tors. theta energy: -20.402
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: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -280.841098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.841098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.841098 (E_RNA)
where:
Base-Base interactions energy: -127.352
where: short stacking energy: -76.483
Base-Backbone interact. energy: -1.218
local terms energy: -152.270776
where:
bonds (distance) C4'-P energy: -52.099
bonds (distance) P-C4' energy: -44.242
flat angles C4'-P-C4' energy: -40.463
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -3.625
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: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -951.995605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.995605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.995605 (E_RNA)
where:
Base-Base interactions energy: -652.511
where: short stacking energy: -294.231
Base-Backbone interact. energy: -0.410
local terms energy: -299.075198
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -56.883
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -85.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -959.437624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.437624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.437624 (E_RNA)
where:
Base-Base interactions energy: -661.313
where: short stacking energy: -283.904
Base-Backbone interact. energy: 1.191
local terms energy: -299.315903
where:
bonds (distance) C4'-P energy: -55.541
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -39.625
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: 204
Temperature: 1.000000
Total energy: -927.032105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.032105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.032105 (E_RNA)
where:
Base-Base interactions energy: -648.902
where: short stacking energy: -275.702
Base-Backbone interact. energy: -0.706
local terms energy: -277.424650
where:
bonds (distance) C4'-P energy: -49.731
bonds (distance) P-C4' energy: -49.598
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -76.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -851.799420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.799420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.799420 (E_RNA)
where:
Base-Base interactions energy: -592.123
where: short stacking energy: -267.860
Base-Backbone interact. energy: -0.511
local terms energy: -259.165664
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -54.294
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -73.808
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: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -841.840051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.840051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.840051 (E_RNA)
where:
Base-Base interactions energy: -572.886
where: short stacking energy: -241.518
Base-Backbone interact. energy: -0.700
local terms energy: -268.253557
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -49.831
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -77.256
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: 204
Temperature: 1.150000
Total energy: -786.785865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.785865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.785865 (E_RNA)
where:
Base-Base interactions energy: -529.098
where: short stacking energy: -232.185
Base-Backbone interact. energy: -0.329
local terms energy: -257.359348
where:
bonds (distance) C4'-P energy: -46.028
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -57.158
flat angles P-C4'-P energy: -37.213
tors. eta vs tors. theta energy: -66.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -758.770513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.770513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.770513 (E_RNA)
where:
Base-Base interactions energy: -504.131
where: short stacking energy: -226.139
Base-Backbone interact. energy: -0.260
local terms energy: -254.379619
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -54.152
flat angles P-C4'-P energy: -44.064
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: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -687.255044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.255044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.255044 (E_RNA)
where:
Base-Base interactions energy: -465.680
where: short stacking energy: -207.157
Base-Backbone interact. energy: -0.608
local terms energy: -220.967516
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -48.937
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -30.442
tors. eta vs tors. theta energy: -52.329
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: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -470.656414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.656414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.656414 (E_RNA)
where:
Base-Base interactions energy: -299.589
where: short stacking energy: -152.789
Base-Backbone interact. energy: -2.301
local terms energy: -168.766139
where:
bonds (distance) C4'-P energy: -44.635
bonds (distance) P-C4' energy: -44.571
flat angles C4'-P-C4' energy: -50.257
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -279.217109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.217109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.217109 (E_RNA)
where:
Base-Base interactions energy: -118.765
where: short stacking energy: -76.156
Base-Backbone interact. energy: -0.792
local terms energy: -159.660333
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -44.481
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -936.356247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.356247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.356247 (E_RNA)
where:
Base-Base interactions energy: -639.687
where: short stacking energy: -283.844
Base-Backbone interact. energy: -0.907
local terms energy: -295.762184
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -63.844
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -81.278
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: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -910.461712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.461712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.461712 (E_RNA)
where:
Base-Base interactions energy: -628.352
where: short stacking energy: -264.176
Base-Backbone interact. energy: -1.668
local terms energy: -280.441345
where:
bonds (distance) C4'-P energy: -51.425
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -43.491
tors. eta vs tors. theta energy: -70.089
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: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -908.463830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.463830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.463830 (E_RNA)
where:
Base-Base interactions energy: -631.546
where: short stacking energy: -263.047
Base-Backbone interact. energy: 1.776
local terms energy: -278.694416
where:
bonds (distance) C4'-P energy: -45.710
bonds (distance) P-C4' energy: -53.880
flat angles C4'-P-C4' energy: -57.091
flat angles P-C4'-P energy: -43.301
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -848.509775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.509775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.509775 (E_RNA)
where:
Base-Base interactions energy: -590.928
where: short stacking energy: -248.827
Base-Backbone interact. energy: -0.647
local terms energy: -256.934638
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -43.912
flat angles C4'-P-C4' energy: -61.265
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -69.793
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: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -833.646295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.646295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.646295 (E_RNA)
where:
Base-Base interactions energy: -573.576
where: short stacking energy: -232.352
Base-Backbone interact. energy: -1.613
local terms energy: -258.457733
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -68.408
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: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -772.928212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.928212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.928212 (E_RNA)
where:
Base-Base interactions energy: -526.615
where: short stacking energy: -223.631
Base-Backbone interact. energy: -1.169
local terms energy: -245.144345
where:
bonds (distance) C4'-P energy: -36.994
bonds (distance) P-C4' energy: -50.788
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -42.109
tors. eta vs tors. theta energy: -63.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -721.458984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.458984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.458984 (E_RNA)
where:
Base-Base interactions energy: -490.286
where: short stacking energy: -216.167
Base-Backbone interact. energy: 0.350
local terms energy: -231.523283
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -44.097
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -67.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -677.963694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.963694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.963694 (E_RNA)
where:
Base-Base interactions energy: -484.808
where: short stacking energy: -201.490
Base-Backbone interact. energy: -0.436
local terms energy: -192.719305
where:
bonds (distance) C4'-P energy: -48.870
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -34.449
flat angles P-C4'-P energy: -29.435
tors. eta vs tors. theta energy: -39.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -468.973696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.973696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.973696 (E_RNA)
where:
Base-Base interactions energy: -285.417
where: short stacking energy: -138.089
Base-Backbone interact. energy: 0.153
local terms energy: -183.709197
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -16.979
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: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -279.650800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.650800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.650800 (E_RNA)
where:
Base-Base interactions energy: -129.470
where: short stacking energy: -86.489
Base-Backbone interact. energy: -0.720
local terms energy: -149.460939
where:
bonds (distance) C4'-P energy: -38.610
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -2.823
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: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -934.031708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.031708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.031708 (E_RNA)
where:
Base-Base interactions energy: -650.688
where: short stacking energy: -280.617
Base-Backbone interact. energy: -1.224
local terms energy: -282.119248
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -58.286
flat angles P-C4'-P energy: -41.310
tors. eta vs tors. theta energy: -82.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -909.381054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.381054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.381054 (E_RNA)
where:
Base-Base interactions energy: -641.970
where: short stacking energy: -262.740
Base-Backbone interact. energy: 1.052
local terms energy: -268.463433
where:
bonds (distance) C4'-P energy: -58.418
bonds (distance) P-C4' energy: -46.449
flat angles C4'-P-C4' energy: -54.873
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -69.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -914.665742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.665742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.665742 (E_RNA)
where:
Base-Base interactions energy: -630.194
where: short stacking energy: -267.853
Base-Backbone interact. energy: -1.246
local terms energy: -283.225801
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -52.593
flat angles C4'-P-C4' energy: -58.885
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -78.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -875.992292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.992292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.992292 (E_RNA)
where:
Base-Base interactions energy: -595.213
where: short stacking energy: -253.491
Base-Backbone interact. energy: -1.954
local terms energy: -278.825089
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -52.668
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -46.734
tors. eta vs tors. theta energy: -70.687
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -824.926729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.926729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.926729 (E_RNA)
where:
Base-Base interactions energy: -570.773
where: short stacking energy: -231.956
Base-Backbone interact. energy: 0.580
local terms energy: -254.733910
where:
bonds (distance) C4'-P energy: -49.325
bonds (distance) P-C4' energy: -51.553
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -61.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -793.499561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.499561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.499561 (E_RNA)
where:
Base-Base interactions energy: -548.403
where: short stacking energy: -250.458
Base-Backbone interact. energy: -1.254
local terms energy: -243.842792
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -54.332
flat angles P-C4'-P energy: -33.207
tors. eta vs tors. theta energy: -67.736
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: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -772.174049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.174049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.174049 (E_RNA)
where:
Base-Base interactions energy: -532.972
where: short stacking energy: -219.506
Base-Backbone interact. energy: -0.236
local terms energy: -238.966515
where:
bonds (distance) C4'-P energy: -53.787
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -45.283
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -68.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -668.795396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.795396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.795396 (E_RNA)
where:
Base-Base interactions energy: -449.442
where: short stacking energy: -196.591
Base-Backbone interact. energy: -1.314
local terms energy: -218.038781
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -53.884
flat angles C4'-P-C4' energy: -49.907
flat angles P-C4'-P energy: -26.744
tors. eta vs tors. theta energy: -47.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -441.698369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.698369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.698369 (E_RNA)
where:
Base-Base interactions energy: -260.032
where: short stacking energy: -117.222
Base-Backbone interact. energy: 0.622
local terms energy: -182.288666
where:
bonds (distance) C4'-P energy: -49.276
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -292.474366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.474366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.474366 (E_RNA)
where:
Base-Base interactions energy: -133.638
where: short stacking energy: -94.948
Base-Backbone interact. energy: -3.556
local terms energy: -155.279951
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -39.633
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -950.236344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.236344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.236344 (E_RNA)
where:
Base-Base interactions energy: -649.857
where: short stacking energy: -293.667
Base-Backbone interact. energy: -0.569
local terms energy: -299.810476
where:
bonds (distance) C4'-P energy: -54.509
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -63.864
flat angles P-C4'-P energy: -40.324
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: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -953.375443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.375443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.375443 (E_RNA)
where:
Base-Base interactions energy: -664.046
where: short stacking energy: -288.678
Base-Backbone interact. energy: -0.352
local terms energy: -288.977137
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -47.483
tors. eta vs tors. theta energy: -92.006
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: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -901.746628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.746628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.746628 (E_RNA)
where:
Base-Base interactions energy: -636.963
where: short stacking energy: -260.043
Base-Backbone interact. energy: -1.460
local terms energy: -263.324159
where:
bonds (distance) C4'-P energy: -54.247
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -55.708
flat angles P-C4'-P energy: -35.082
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: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -849.250140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.250140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.250140 (E_RNA)
where:
Base-Base interactions energy: -564.986
where: short stacking energy: -247.279
Base-Backbone interact. energy: -0.660
local terms energy: -283.603758
where:
bonds (distance) C4'-P energy: -49.807
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -66.873
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -72.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -830.942631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.942631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.942631 (E_RNA)
where:
Base-Base interactions energy: -576.667
where: short stacking energy: -252.653
Base-Backbone interact. energy: -0.942
local terms energy: -253.334066
where:
bonds (distance) C4'-P energy: -52.166
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -46.490
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -75.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -769.856118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.856118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.856118 (E_RNA)
where:
Base-Base interactions energy: -517.190
where: short stacking energy: -225.395
Base-Backbone interact. energy: -0.861
local terms energy: -251.805360
where:
bonds (distance) C4'-P energy: -39.356
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -37.860
tors. eta vs tors. theta energy: -59.556
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: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -721.968953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.968953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.968953 (E_RNA)
where:
Base-Base interactions energy: -477.535
where: short stacking energy: -211.560
Base-Backbone interact. energy: -0.620
local terms energy: -243.813898
where:
bonds (distance) C4'-P energy: -48.457
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -52.103
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -55.679
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -663.130914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.130914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.130914 (E_RNA)
where:
Base-Base interactions energy: -449.536
where: short stacking energy: -184.773
Base-Backbone interact. energy: -1.589
local terms energy: -212.005357
where:
bonds (distance) C4'-P energy: -40.631
bonds (distance) P-C4' energy: -40.355
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -43.665
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: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -465.714876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.714876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.714876 (E_RNA)
where:
Base-Base interactions energy: -291.249
where: short stacking energy: -124.197
Base-Backbone interact. energy: 4.299
local terms energy: -178.764950
where:
bonds (distance) C4'-P energy: -42.162
bonds (distance) P-C4' energy: -34.906
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -319.585465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.585465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.585465 (E_RNA)
where:
Base-Base interactions energy: -161.322
where: short stacking energy: -86.870
Base-Backbone interact. energy: -0.978
local terms energy: -157.285642
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -962.933810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.933810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.933810 (E_RNA)
where:
Base-Base interactions energy: -650.072
where: short stacking energy: -282.689
Base-Backbone interact. energy: -1.014
local terms energy: -311.847349
where:
bonds (distance) C4'-P energy: -56.604
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -90.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -947.726089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.726089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.726089 (E_RNA)
where:
Base-Base interactions energy: -663.615
where: short stacking energy: -274.141
Base-Backbone interact. energy: 1.545
local terms energy: -285.655535
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -45.192
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: -85.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -916.718114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.718114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.718114 (E_RNA)
where:
Base-Base interactions energy: -638.602
where: short stacking energy: -278.414
Base-Backbone interact. energy: -1.415
local terms energy: -276.701695
where:
bonds (distance) C4'-P energy: -53.513
bonds (distance) P-C4' energy: -52.828
flat angles C4'-P-C4' energy: -59.923
flat angles P-C4'-P energy: -36.079
tors. eta vs tors. theta energy: -74.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -852.800936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.800936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.800936 (E_RNA)
where:
Base-Base interactions energy: -581.787
where: short stacking energy: -263.299
Base-Backbone interact. energy: -0.983
local terms energy: -270.031066
where:
bonds (distance) C4'-P energy: -41.521
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -65.209
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -73.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -769.124452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.124452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.124452 (E_RNA)
where:
Base-Base interactions energy: -511.927
where: short stacking energy: -225.768
Base-Backbone interact. energy: -0.334
local terms energy: -256.863808
where:
bonds (distance) C4'-P energy: -51.580
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -56.330
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -60.551
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -820.964700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.964700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.964700 (E_RNA)
where:
Base-Base interactions energy: -560.502
where: short stacking energy: -221.680
Base-Backbone interact. energy: -0.821
local terms energy: -259.641281
where:
bonds (distance) C4'-P energy: -55.271
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -55.952
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: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -735.378595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.378595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.378595 (E_RNA)
where:
Base-Base interactions energy: -488.426
where: short stacking energy: -192.192
Base-Backbone interact. energy: -1.420
local terms energy: -245.532185
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -52.688
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -62.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -694.057497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.057497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.057497 (E_RNA)
where:
Base-Base interactions energy: -477.072
where: short stacking energy: -197.855
Base-Backbone interact. energy: -0.532
local terms energy: -216.453054
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -48.397
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: -47.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -484.534211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.534211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.534211 (E_RNA)
where:
Base-Base interactions energy: -295.539
where: short stacking energy: -121.620
Base-Backbone interact. energy: 0.700
local terms energy: -189.695489
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -43.548
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -305.556727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.556727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.556727 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -84.679
Base-Backbone interact. energy: -1.148
local terms energy: -168.515325
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -57.033
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: 0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -951.603404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.603404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.603404 (E_RNA)
where:
Base-Base interactions energy: -646.458
where: short stacking energy: -283.585
Base-Backbone interact. energy: -0.928
local terms energy: -304.217027
where:
bonds (distance) C4'-P energy: -58.705
bonds (distance) P-C4' energy: -59.108
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -85.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -946.327760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.327760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.327760 (E_RNA)
where:
Base-Base interactions energy: -653.046
where: short stacking energy: -276.591
Base-Backbone interact. energy: -0.088
local terms energy: -293.194027
where:
bonds (distance) C4'-P energy: -53.955
bonds (distance) P-C4' energy: -54.604
flat angles C4'-P-C4' energy: -58.403
flat angles P-C4'-P energy: -38.097
tors. eta vs tors. theta energy: -88.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -901.626197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.626197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.626197 (E_RNA)
where:
Base-Base interactions energy: -625.689
where: short stacking energy: -272.018
Base-Backbone interact. energy: -0.442
local terms energy: -275.494947
where:
bonds (distance) C4'-P energy: -54.600
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -57.675
flat angles P-C4'-P energy: -36.368
tors. eta vs tors. theta energy: -78.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -815.827624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.827624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.827624 (E_RNA)
where:
Base-Base interactions energy: -546.829
where: short stacking energy: -241.657
Base-Backbone interact. energy: -0.205
local terms energy: -268.793766
where:
bonds (distance) C4'-P energy: -47.854
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -51.398
flat angles P-C4'-P energy: -38.101
tors. eta vs tors. theta energy: -71.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -776.315298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.315298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.315298 (E_RNA)
where:
Base-Base interactions energy: -518.083
where: short stacking energy: -225.830
Base-Backbone interact. energy: -0.885
local terms energy: -257.346387
where:
bonds (distance) C4'-P energy: -49.317
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -58.404
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -64.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -793.290151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.290151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.290151 (E_RNA)
where:
Base-Base interactions energy: -555.605
where: short stacking energy: -243.911
Base-Backbone interact. energy: 0.161
local terms energy: -237.846604
where:
bonds (distance) C4'-P energy: -35.023
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -36.368
tors. eta vs tors. theta energy: -70.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -768.319846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.319846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.319846 (E_RNA)
where:
Base-Base interactions energy: -518.783
where: short stacking energy: -209.400
Base-Backbone interact. energy: -0.670
local terms energy: -248.867522
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -46.234
flat angles C4'-P-C4' energy: -57.672
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -59.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -717.241669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.241669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.241669 (E_RNA)
where:
Base-Base interactions energy: -481.280
where: short stacking energy: -184.993
Base-Backbone interact. energy: 1.178
local terms energy: -237.140325
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -58.414
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -41.668
tors. eta vs tors. theta energy: -46.699
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: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -471.402183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.402183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.402183 (E_RNA)
where:
Base-Base interactions energy: -288.914
where: short stacking energy: -126.210
Base-Backbone interact. energy: 0.339
local terms energy: -182.827530
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -44.250
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -301.426786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.426786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.426786 (E_RNA)
where:
Base-Base interactions energy: -133.130
where: short stacking energy: -83.136
Base-Backbone interact. energy: 0.028
local terms energy: -168.324273
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -49.659
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -953.497450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.497450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.497450 (E_RNA)
where:
Base-Base interactions energy: -644.914
where: short stacking energy: -288.065
Base-Backbone interact. energy: 0.730
local terms energy: -309.313835
where:
bonds (distance) C4'-P energy: -60.398
bonds (distance) P-C4' energy: -59.751
flat angles C4'-P-C4' energy: -60.014
flat angles P-C4'-P energy: -47.016
tors. eta vs tors. theta energy: -82.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -942.353553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.353553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.353553 (E_RNA)
where:
Base-Base interactions energy: -651.221
where: short stacking energy: -278.941
Base-Backbone interact. energy: -0.055
local terms energy: -291.077133
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -53.720
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -40.612
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: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -916.634960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.634960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.634960 (E_RNA)
where:
Base-Base interactions energy: -634.943
where: short stacking energy: -269.396
Base-Backbone interact. energy: 2.858
local terms energy: -284.549970
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -59.457
flat angles C4'-P-C4' energy: -58.367
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -73.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -824.053579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.053579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.053579 (E_RNA)
where:
Base-Base interactions energy: -547.718
where: short stacking energy: -239.966
Base-Backbone interact. energy: -1.532
local terms energy: -274.803407
where:
bonds (distance) C4'-P energy: -52.627
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -73.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -817.594809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.594809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.594809 (E_RNA)
where:
Base-Base interactions energy: -555.758
where: short stacking energy: -229.023
Base-Backbone interact. energy: -0.383
local terms energy: -261.453846
where:
bonds (distance) C4'-P energy: -45.966
bonds (distance) P-C4' energy: -42.404
flat angles C4'-P-C4' energy: -62.154
flat angles P-C4'-P energy: -39.379
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -751.004034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.004034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.004034 (E_RNA)
where:
Base-Base interactions energy: -498.654
where: short stacking energy: -220.307
Base-Backbone interact. energy: 0.014
local terms energy: -252.363601
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -44.785
flat angles C4'-P-C4' energy: -54.716
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -62.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -771.049493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.049493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.049493 (E_RNA)
where:
Base-Base interactions energy: -535.225
where: short stacking energy: -221.955
Base-Backbone interact. energy: -0.840
local terms energy: -234.984411
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -34.100
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -35.403
tors. eta vs tors. theta energy: -61.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -701.454764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.454764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.454764 (E_RNA)
where:
Base-Base interactions energy: -468.066
where: short stacking energy: -199.586
Base-Backbone interact. energy: -0.132
local terms energy: -233.256957
where:
bonds (distance) C4'-P energy: -44.001
bonds (distance) P-C4' energy: -43.794
flat angles C4'-P-C4' energy: -44.387
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -61.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -535.191485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.191485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.191485 (E_RNA)
where:
Base-Base interactions energy: -341.770
where: short stacking energy: -154.791
Base-Backbone interact. energy: -1.062
local terms energy: -192.358795
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -41.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -228.161848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.161848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.161848 (E_RNA)
where:
Base-Base interactions energy: -67.040
where: short stacking energy: -62.417
Base-Backbone interact. energy: 2.175
local terms energy: -163.296987
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -56.062
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: 7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -952.406844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.406844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.406844 (E_RNA)
where:
Base-Base interactions energy: -670.713
where: short stacking energy: -287.886
Base-Backbone interact. energy: 0.252
local terms energy: -281.946617
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -49.356
flat angles C4'-P-C4' energy: -57.653
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -85.784
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: 211
Temperature: 0.950000
Total energy: -924.587582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.587582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.587582 (E_RNA)
where:
Base-Base interactions energy: -641.709
where: short stacking energy: -277.396
Base-Backbone interact. energy: -1.355
local terms energy: -281.523857
where:
bonds (distance) C4'-P energy: -48.456
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -65.712
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -75.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -913.599219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.599219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.599219 (E_RNA)
where:
Base-Base interactions energy: -630.164
where: short stacking energy: -267.484
Base-Backbone interact. energy: 0.706
local terms energy: -284.141491
where:
bonds (distance) C4'-P energy: -54.407
bonds (distance) P-C4' energy: -49.501
flat angles C4'-P-C4' energy: -57.729
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -79.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -846.815670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.815670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.815670 (E_RNA)
where:
Base-Base interactions energy: -581.259
where: short stacking energy: -246.701
Base-Backbone interact. energy: -1.556
local terms energy: -264.000595
where:
bonds (distance) C4'-P energy: -52.827
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -42.938
tors. eta vs tors. theta energy: -71.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -842.666632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.666632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.666632 (E_RNA)
where:
Base-Base interactions energy: -585.545
where: short stacking energy: -248.793
Base-Backbone interact. energy: 0.319
local terms energy: -257.440761
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -50.316
flat angles P-C4'-P energy: -36.345
tors. eta vs tors. theta energy: -69.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -777.954439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.954439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.954439 (E_RNA)
where:
Base-Base interactions energy: -532.223
where: short stacking energy: -236.022
Base-Backbone interact. energy: 1.465
local terms energy: -247.196566
where:
bonds (distance) C4'-P energy: -50.153
bonds (distance) P-C4' energy: -45.492
flat angles C4'-P-C4' energy: -47.306
flat angles P-C4'-P energy: -36.198
tors. eta vs tors. theta energy: -68.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -738.899354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.899354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.899354 (E_RNA)
where:
Base-Base interactions energy: -494.373
where: short stacking energy: -213.639
Base-Backbone interact. energy: -0.241
local terms energy: -244.285138
where:
bonds (distance) C4'-P energy: -45.927
bonds (distance) P-C4' energy: -48.931
flat angles C4'-P-C4' energy: -48.952
flat angles P-C4'-P energy: -38.466
tors. eta vs tors. theta energy: -62.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -675.525400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.525400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.525400 (E_RNA)
where:
Base-Base interactions energy: -470.382
where: short stacking energy: -183.063
Base-Backbone interact. energy: -0.486
local terms energy: -204.657430
where:
bonds (distance) C4'-P energy: -55.227
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -3.892
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: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -566.232140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.232140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.232140 (E_RNA)
where:
Base-Base interactions energy: -362.715
where: short stacking energy: -165.108
Base-Backbone interact. energy: -0.430
local terms energy: -203.087638
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -41.939
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -221.506956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.506956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.506956 (E_RNA)
where:
Base-Base interactions energy: -92.431
where: short stacking energy: -81.189
Base-Backbone interact. energy: 1.141
local terms energy: -130.217078
where:
bonds (distance) C4'-P energy: -43.239
bonds (distance) P-C4' energy: -45.476
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: 8.149
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: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -961.388675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.388675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.388675 (E_RNA)
where:
Base-Base interactions energy: -667.450
where: short stacking energy: -304.966
Base-Backbone interact. energy: -1.974
local terms energy: -291.965171
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -91.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -910.882540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.882540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.882540 (E_RNA)
where:
Base-Base interactions energy: -623.736
where: short stacking energy: -280.837
Base-Backbone interact. energy: 1.587
local terms energy: -288.734018
where:
bonds (distance) C4'-P energy: -51.758
bonds (distance) P-C4' energy: -49.449
flat angles C4'-P-C4' energy: -67.174
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -75.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -924.205641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.205641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.205641 (E_RNA)
where:
Base-Base interactions energy: -633.935
where: short stacking energy: -265.959
Base-Backbone interact. energy: -0.691
local terms energy: -289.579424
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -55.215
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -85.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -851.196382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.196382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.196382 (E_RNA)
where:
Base-Base interactions energy: -572.796
where: short stacking energy: -255.866
Base-Backbone interact. energy: 0.578
local terms energy: -278.979126
where:
bonds (distance) C4'-P energy: -53.256
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -64.550
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -74.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -796.863565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.863565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.863565 (E_RNA)
where:
Base-Base interactions energy: -542.611
where: short stacking energy: -241.336
Base-Backbone interact. energy: -0.376
local terms energy: -253.876641
where:
bonds (distance) C4'-P energy: -42.670
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -58.189
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -70.083
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: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -833.312329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.312329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.312329 (E_RNA)
where:
Base-Base interactions energy: -566.261
where: short stacking energy: -229.439
Base-Backbone interact. energy: -0.639
local terms energy: -266.412270
where:
bonds (distance) C4'-P energy: -55.574
bonds (distance) P-C4' energy: -51.188
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -32.929
tors. eta vs tors. theta energy: -69.920
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: 212
Temperature: 1.200000
Total energy: -749.329016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.329016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.329016 (E_RNA)
where:
Base-Base interactions energy: -506.300
where: short stacking energy: -211.188
Base-Backbone interact. energy: -0.877
local terms energy: -242.152573
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -55.351
flat angles C4'-P-C4' energy: -49.889
flat angles P-C4'-P energy: -35.842
tors. eta vs tors. theta energy: -54.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -668.965706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.965706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.965706 (E_RNA)
where:
Base-Base interactions energy: -459.155
where: short stacking energy: -190.709
Base-Backbone interact. energy: -0.382
local terms energy: -209.428146
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -42.731
flat angles C4'-P-C4' energy: -51.633
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -44.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -542.835414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.835414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.835414 (E_RNA)
where:
Base-Base interactions energy: -353.592
where: short stacking energy: -156.620
Base-Backbone interact. energy: 3.912
local terms energy: -193.155420
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -41.964
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -31.161
tors. eta vs tors. theta energy: -29.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -219.591432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.591432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.591432 (E_RNA)
where:
Base-Base interactions energy: -60.508
where: short stacking energy: -57.053
Base-Backbone interact. energy: 0.356
local terms energy: -159.438486
where:
bonds (distance) C4'-P energy: -40.319
bonds (distance) P-C4' energy: -55.322
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -24.756
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: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -949.803688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.803688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.803688 (E_RNA)
where:
Base-Base interactions energy: -650.618
where: short stacking energy: -297.662
Base-Backbone interact. energy: -2.590
local terms energy: -296.595180
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -53.186
flat angles P-C4'-P energy: -40.901
tors. eta vs tors. theta energy: -85.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -933.777793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.777793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.777793 (E_RNA)
where:
Base-Base interactions energy: -656.892
where: short stacking energy: -286.096
Base-Backbone interact. energy: -1.269
local terms energy: -275.617212
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -50.108
flat angles C4'-P-C4' energy: -53.725
flat angles P-C4'-P energy: -36.790
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: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -887.123940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.123940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.123940 (E_RNA)
where:
Base-Base interactions energy: -627.687
where: short stacking energy: -268.486
Base-Backbone interact. energy: -0.542
local terms energy: -258.895516
where:
bonds (distance) C4'-P energy: -46.655
bonds (distance) P-C4' energy: -48.894
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -75.978
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: 213
Temperature: 1.050000
Total energy: -838.146990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.146990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.146990 (E_RNA)
where:
Base-Base interactions energy: -590.222
where: short stacking energy: -257.183
Base-Backbone interact. energy: 1.063
local terms energy: -248.987766
where:
bonds (distance) C4'-P energy: -38.704
bonds (distance) P-C4' energy: -49.644
flat angles C4'-P-C4' energy: -53.370
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -71.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -812.898368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.898368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.898368 (E_RNA)
where:
Base-Base interactions energy: -542.560
where: short stacking energy: -241.704
Base-Backbone interact. energy: -0.383
local terms energy: -269.955421
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -54.672
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: -69.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -807.860268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.860268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.860268 (E_RNA)
where:
Base-Base interactions energy: -559.910
where: short stacking energy: -213.582
Base-Backbone interact. energy: -0.554
local terms energy: -247.396700
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -68.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -725.799809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.799809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.799809 (E_RNA)
where:
Base-Base interactions energy: -491.872
where: short stacking energy: -205.586
Base-Backbone interact. energy: -1.475
local terms energy: -232.453603
where:
bonds (distance) C4'-P energy: -38.541
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -31.440
tors. eta vs tors. theta energy: -56.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -709.065884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.065884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.065884 (E_RNA)
where:
Base-Base interactions energy: -498.450
where: short stacking energy: -202.648
Base-Backbone interact. energy: -0.680
local terms energy: -209.936152
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -41.475
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -41.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -558.738469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.738469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.738469 (E_RNA)
where:
Base-Base interactions energy: -358.414
where: short stacking energy: -164.698
Base-Backbone interact. energy: -0.740
local terms energy: -199.584119
where:
bonds (distance) C4'-P energy: -46.364
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -52.890
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -33.069
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: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -235.075604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.075604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.075604 (E_RNA)
where:
Base-Base interactions energy: -90.976
where: short stacking energy: -65.610
Base-Backbone interact. energy: 2.995
local terms energy: -147.094138
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: 5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -962.034148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.034148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.034148 (E_RNA)
where:
Base-Base interactions energy: -664.005
where: short stacking energy: -279.948
Base-Backbone interact. energy: -1.364
local terms energy: -296.665102
where:
bonds (distance) C4'-P energy: -57.657
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -59.043
flat angles P-C4'-P energy: -46.560
tors. eta vs tors. theta energy: -84.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -935.803410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.803410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.803410 (E_RNA)
where:
Base-Base interactions energy: -632.931
where: short stacking energy: -278.068
Base-Backbone interact. energy: -2.366
local terms energy: -300.506794
where:
bonds (distance) C4'-P energy: -51.523
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -60.195
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -89.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -902.999633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.999633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.999633 (E_RNA)
where:
Base-Base interactions energy: -636.008
where: short stacking energy: -276.073
Base-Backbone interact. energy: -0.444
local terms energy: -266.547365
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -74.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -847.680821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.680821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.680821 (E_RNA)
where:
Base-Base interactions energy: -582.725
where: short stacking energy: -255.645
Base-Backbone interact. energy: -2.298
local terms energy: -262.658571
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -53.929
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -72.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -800.769687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.769687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.769687 (E_RNA)
where:
Base-Base interactions energy: -559.005
where: short stacking energy: -240.181
Base-Backbone interact. energy: 2.055
local terms energy: -243.819311
where:
bonds (distance) C4'-P energy: -38.883
bonds (distance) P-C4' energy: -52.510
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -31.018
tors. eta vs tors. theta energy: -65.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -786.392141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.392141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.392141 (E_RNA)
where:
Base-Base interactions energy: -544.997
where: short stacking energy: -225.085
Base-Backbone interact. energy: -1.185
local terms energy: -240.209871
where:
bonds (distance) C4'-P energy: -45.950
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -52.109
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -65.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -738.513083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.513083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.513083 (E_RNA)
where:
Base-Base interactions energy: -514.982
where: short stacking energy: -220.481
Base-Backbone interact. energy: -0.305
local terms energy: -223.225784
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -44.647
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -61.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -716.873496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.873496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.873496 (E_RNA)
where:
Base-Base interactions energy: -492.264
where: short stacking energy: -208.354
Base-Backbone interact. energy: -1.273
local terms energy: -223.336584
where:
bonds (distance) C4'-P energy: -41.566
bonds (distance) P-C4' energy: -44.346
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -49.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -596.105367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.105367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.105367 (E_RNA)
where:
Base-Base interactions energy: -386.594
where: short stacking energy: -184.668
Base-Backbone interact. energy: -1.388
local terms energy: -208.123178
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -53.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -236.109280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.109280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.109280 (E_RNA)
where:
Base-Base interactions energy: -101.658
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.829
local terms energy: -133.622800
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -27.295
flat angles P-C4'-P energy: -25.180
tors. eta vs tors. theta energy: 0.071
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: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -949.194770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.194770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.194770 (E_RNA)
where:
Base-Base interactions energy: -662.389
where: short stacking energy: -290.333
Base-Backbone interact. energy: -0.944
local terms energy: -285.861600
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -45.607
flat angles C4'-P-C4' energy: -64.145
flat angles P-C4'-P energy: -41.808
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: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -939.998683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.998683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.998683 (E_RNA)
where:
Base-Base interactions energy: -649.397
where: short stacking energy: -280.428
Base-Backbone interact. energy: 0.751
local terms energy: -291.352959
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -56.521
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -84.068
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: 215
Temperature: 1.000000
Total energy: -904.970038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.970038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.970038 (E_RNA)
where:
Base-Base interactions energy: -625.397
where: short stacking energy: -276.942
Base-Backbone interact. energy: -1.292
local terms energy: -278.281065
where:
bonds (distance) C4'-P energy: -47.109
bonds (distance) P-C4' energy: -52.147
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -82.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -866.775470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.775470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.775470 (E_RNA)
where:
Base-Base interactions energy: -600.489
where: short stacking energy: -266.557
Base-Backbone interact. energy: -1.094
local terms energy: -265.192804
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -51.184
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -35.686
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: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -799.200278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.200278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.200278 (E_RNA)
where:
Base-Base interactions energy: -548.536
where: short stacking energy: -236.668
Base-Backbone interact. energy: -1.303
local terms energy: -249.361899
where:
bonds (distance) C4'-P energy: -50.234
bonds (distance) P-C4' energy: -46.863
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -72.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -764.577147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.577147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.577147 (E_RNA)
where:
Base-Base interactions energy: -517.577
where: short stacking energy: -216.207
Base-Backbone interact. energy: -0.346
local terms energy: -246.653826
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -52.458
flat angles C4'-P-C4' energy: -49.412
flat angles P-C4'-P energy: -34.533
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: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -757.057090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.057090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.057090 (E_RNA)
where:
Base-Base interactions energy: -495.228
where: short stacking energy: -194.875
Base-Backbone interact. energy: -1.375
local terms energy: -260.454027
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -54.479
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -41.996
tors. eta vs tors. theta energy: -60.350
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -702.647770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.647770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.647770 (E_RNA)
where:
Base-Base interactions energy: -493.378
where: short stacking energy: -197.967
Base-Backbone interact. energy: -0.466
local terms energy: -208.803691
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -49.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -585.282340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.282340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.282340 (E_RNA)
where:
Base-Base interactions energy: -356.939
where: short stacking energy: -171.691
Base-Backbone interact. energy: 1.849
local terms energy: -230.192598
where:
bonds (distance) C4'-P energy: -51.879
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -41.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -237.518099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518099 (E_RNA)
where:
Base-Base interactions energy: -86.768
where: short stacking energy: -82.485
Base-Backbone interact. energy: 0.162
local terms energy: -150.911465
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -941.991478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.991478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.991478 (E_RNA)
where:
Base-Base interactions energy: -642.641
where: short stacking energy: -287.759
Base-Backbone interact. energy: -0.956
local terms energy: -298.394792
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -56.529
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -84.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -923.193329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.193329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.193329 (E_RNA)
where:
Base-Base interactions energy: -643.238
where: short stacking energy: -266.259
Base-Backbone interact. energy: -1.244
local terms energy: -278.710752
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -57.310
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -79.459
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: 216
Temperature: 1.000000
Total energy: -890.921981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.921981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.921981 (E_RNA)
where:
Base-Base interactions energy: -618.972
where: short stacking energy: -243.040
Base-Backbone interact. energy: 1.339
local terms energy: -273.288615
where:
bonds (distance) C4'-P energy: -55.459
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -59.022
flat angles P-C4'-P energy: -38.089
tors. eta vs tors. theta energy: -69.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -875.095463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.095463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.095463 (E_RNA)
where:
Base-Base interactions energy: -596.073
where: short stacking energy: -259.074
Base-Backbone interact. energy: -0.176
local terms energy: -278.846637
where:
bonds (distance) C4'-P energy: -52.545
bonds (distance) P-C4' energy: -50.479
flat angles C4'-P-C4' energy: -54.641
flat angles P-C4'-P energy: -45.080
tors. eta vs tors. theta energy: -76.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -784.921706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.921706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.921706 (E_RNA)
where:
Base-Base interactions energy: -530.293
where: short stacking energy: -230.600
Base-Backbone interact. energy: -1.032
local terms energy: -253.596501
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -46.902
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: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -805.788944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.788944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.788944 (E_RNA)
where:
Base-Base interactions energy: -554.683
where: short stacking energy: -233.768
Base-Backbone interact. energy: 0.077
local terms energy: -251.183565
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -41.682
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -36.544
tors. eta vs tors. theta energy: -66.952
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: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -759.412207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.412207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.412207 (E_RNA)
where:
Base-Base interactions energy: -522.158
where: short stacking energy: -232.185
Base-Backbone interact. energy: 0.206
local terms energy: -237.460176
where:
bonds (distance) C4'-P energy: -45.927
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -54.432
flat angles P-C4'-P energy: -33.033
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: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -681.567769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.567769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.567769 (E_RNA)
where:
Base-Base interactions energy: -464.147
where: short stacking energy: -178.876
Base-Backbone interact. energy: 0.746
local terms energy: -218.167410
where:
bonds (distance) C4'-P energy: -39.298
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -57.692
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -34.968
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -575.037932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.037932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.037932 (E_RNA)
where:
Base-Base interactions energy: -352.187
where: short stacking energy: -163.291
Base-Backbone interact. energy: 0.480
local terms energy: -223.330164
where:
bonds (distance) C4'-P energy: -54.830
bonds (distance) P-C4' energy: -41.711
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: -35.786
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: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -241.575103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.575103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.575103 (E_RNA)
where:
Base-Base interactions energy: -80.325
where: short stacking energy: -65.154
Base-Backbone interact. energy: -1.410
local terms energy: -159.839959
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -45.520
flat angles C4'-P-C4' energy: -47.767
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: 5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -932.203064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.203064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.203064 (E_RNA)
where:
Base-Base interactions energy: -645.909
where: short stacking energy: -283.791
Base-Backbone interact. energy: -2.199
local terms energy: -284.095045
where:
bonds (distance) C4'-P energy: -53.015
bonds (distance) P-C4' energy: -50.618
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -79.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -941.407531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.407531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.407531 (E_RNA)
where:
Base-Base interactions energy: -638.210
where: short stacking energy: -275.193
Base-Backbone interact. energy: -0.831
local terms energy: -302.366742
where:
bonds (distance) C4'-P energy: -58.381
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -58.867
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -87.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -888.416172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.416172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.416172 (E_RNA)
where:
Base-Base interactions energy: -616.454
where: short stacking energy: -260.519
Base-Backbone interact. energy: 1.654
local terms energy: -273.616763
where:
bonds (distance) C4'-P energy: -48.422
bonds (distance) P-C4' energy: -47.610
flat angles C4'-P-C4' energy: -61.914
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -76.095
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -856.278810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.278810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.278810 (E_RNA)
where:
Base-Base interactions energy: -597.292
where: short stacking energy: -264.785
Base-Backbone interact. energy: 1.507
local terms energy: -260.493633
where:
bonds (distance) C4'-P energy: -40.197
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -76.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -801.058077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.058077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.058077 (E_RNA)
where:
Base-Base interactions energy: -533.321
where: short stacking energy: -245.381
Base-Backbone interact. energy: -0.337
local terms energy: -267.400201
where:
bonds (distance) C4'-P energy: -48.906
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -61.065
flat angles P-C4'-P energy: -34.594
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: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -785.804717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.804717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.804717 (E_RNA)
where:
Base-Base interactions energy: -534.692
where: short stacking energy: -227.662
Base-Backbone interact. energy: -0.751
local terms energy: -250.361159
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -66.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -749.038225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.038225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.038225 (E_RNA)
where:
Base-Base interactions energy: -505.331
where: short stacking energy: -210.302
Base-Backbone interact. energy: -0.193
local terms energy: -243.513479
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -47.418
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -64.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -736.109802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.109802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.109802 (E_RNA)
where:
Base-Base interactions energy: -499.032
where: short stacking energy: -202.302
Base-Backbone interact. energy: -1.378
local terms energy: -235.699329
where:
bonds (distance) C4'-P energy: -51.988
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -55.074
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -49.734
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: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -551.560006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.560006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.560006 (E_RNA)
where:
Base-Base interactions energy: -363.487
where: short stacking energy: -164.750
Base-Backbone interact. energy: -0.278
local terms energy: -187.794976
where:
bonds (distance) C4'-P energy: -42.849
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -46.038
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -31.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -208.555269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.555269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.555269 (E_RNA)
where:
Base-Base interactions energy: -73.867
where: short stacking energy: -60.564
Base-Backbone interact. energy: -1.656
local terms energy: -133.033014
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -58.343
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: 16.554
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: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -954.633207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.633207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.633207 (E_RNA)
where:
Base-Base interactions energy: -652.818
where: short stacking energy: -274.241
Base-Backbone interact. energy: -1.461
local terms energy: -300.353396
where:
bonds (distance) C4'-P energy: -57.516
bonds (distance) P-C4' energy: -52.970
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -43.566
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: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -941.767614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.767614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.767614 (E_RNA)
where:
Base-Base interactions energy: -646.534
where: short stacking energy: -277.753
Base-Backbone interact. energy: -1.389
local terms energy: -293.845106
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -37.087
tors. eta vs tors. theta energy: -84.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -859.657527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.657527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.657527 (E_RNA)
where:
Base-Base interactions energy: -581.822
where: short stacking energy: -258.105
Base-Backbone interact. energy: 1.398
local terms energy: -279.233098
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -61.798
flat angles P-C4'-P energy: -36.768
tors. eta vs tors. theta energy: -73.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -868.468850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.468850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.468850 (E_RNA)
where:
Base-Base interactions energy: -593.125
where: short stacking energy: -241.561
Base-Backbone interact. energy: 1.012
local terms energy: -276.355934
where:
bonds (distance) C4'-P energy: -53.269
bonds (distance) P-C4' energy: -50.402
flat angles C4'-P-C4' energy: -56.777
flat angles P-C4'-P energy: -39.845
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: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -810.790006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.790006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.790006 (E_RNA)
where:
Base-Base interactions energy: -562.455
where: short stacking energy: -237.290
Base-Backbone interact. energy: -1.204
local terms energy: -247.131120
where:
bonds (distance) C4'-P energy: -49.517
bonds (distance) P-C4' energy: -44.042
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -28.613
tors. eta vs tors. theta energy: -66.498
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: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -748.280204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.280204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.280204 (E_RNA)
where:
Base-Base interactions energy: -513.099
where: short stacking energy: -230.963
Base-Backbone interact. energy: -0.181
local terms energy: -234.999621
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -29.606
tors. eta vs tors. theta energy: -61.050
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: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -720.186156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.186156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.186156 (E_RNA)
where:
Base-Base interactions energy: -503.598
where: short stacking energy: -202.227
Base-Backbone interact. energy: -1.433
local terms energy: -215.154505
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -31.100
tors. eta vs tors. theta energy: -49.482
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: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -715.004975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.004975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.004975 (E_RNA)
where:
Base-Base interactions energy: -504.038
where: short stacking energy: -210.537
Base-Backbone interact. energy: -0.431
local terms energy: -210.536489
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -50.499
flat angles C4'-P-C4' energy: -38.620
flat angles P-C4'-P energy: -38.468
tors. eta vs tors. theta energy: -44.914
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: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -560.510757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.510757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.510757 (E_RNA)
where:
Base-Base interactions energy: -362.452
where: short stacking energy: -157.144
Base-Backbone interact. energy: -0.563
local terms energy: -197.495384
where:
bonds (distance) C4'-P energy: -37.735
bonds (distance) P-C4' energy: -46.997
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: -41.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -227.603551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.603551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.603551 (E_RNA)
where:
Base-Base interactions energy: -79.005
where: short stacking energy: -59.102
Base-Backbone interact. energy: 5.644
local terms energy: -154.242102
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -51.777
flat angles C4'-P-C4' energy: -42.992
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: 13.517
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: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -938.445581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.445581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.445581 (E_RNA)
where:
Base-Base interactions energy: -650.050
where: short stacking energy: -280.207
Base-Backbone interact. energy: -1.520
local terms energy: -286.876465
where:
bonds (distance) C4'-P energy: -53.468
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -57.989
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -83.450
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: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -938.826600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.826600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.826600 (E_RNA)
where:
Base-Base interactions energy: -636.321
where: short stacking energy: -281.293
Base-Backbone interact. energy: -0.841
local terms energy: -301.664812
where:
bonds (distance) C4'-P energy: -56.102
bonds (distance) P-C4' energy: -53.023
flat angles C4'-P-C4' energy: -64.890
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: -86.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -850.910747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.910747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.910747 (E_RNA)
where:
Base-Base interactions energy: -585.619
where: short stacking energy: -257.474
Base-Backbone interact. energy: -0.329
local terms energy: -264.963343
where:
bonds (distance) C4'-P energy: -44.678
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -57.210
flat angles P-C4'-P energy: -43.219
tors. eta vs tors. theta energy: -70.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -871.320064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.320064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.320064 (E_RNA)
where:
Base-Base interactions energy: -615.832
where: short stacking energy: -248.995
Base-Backbone interact. energy: -0.649
local terms energy: -254.838584
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -50.549
flat angles C4'-P-C4' energy: -48.053
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -73.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -816.613998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.613998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.613998 (E_RNA)
where:
Base-Base interactions energy: -550.613
where: short stacking energy: -240.034
Base-Backbone interact. energy: 2.555
local terms energy: -268.556348
where:
bonds (distance) C4'-P energy: -54.451
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -52.283
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -67.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -788.154336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.154336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.154336 (E_RNA)
where:
Base-Base interactions energy: -544.549
where: short stacking energy: -224.699
Base-Backbone interact. energy: -0.050
local terms energy: -243.554889
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -46.898
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -63.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -731.834117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.834117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.834117 (E_RNA)
where:
Base-Base interactions energy: -502.964
where: short stacking energy: -211.649
Base-Backbone interact. energy: -0.112
local terms energy: -228.758435
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -57.270
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: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -699.872497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.872497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.872497 (E_RNA)
where:
Base-Base interactions energy: -473.303
where: short stacking energy: -197.356
Base-Backbone interact. energy: 1.268
local terms energy: -227.837690
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -51.908
flat angles C4'-P-C4' energy: -49.540
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -49.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -552.029547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.029547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.029547 (E_RNA)
where:
Base-Base interactions energy: -361.969
where: short stacking energy: -163.515
Base-Backbone interact. energy: -0.981
local terms energy: -189.079080
where:
bonds (distance) C4'-P energy: -37.529
bonds (distance) P-C4' energy: -40.855
flat angles C4'-P-C4' energy: -46.318
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -31.839
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: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -227.061158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.061158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.061158 (E_RNA)
where:
Base-Base interactions energy: -90.451
where: short stacking energy: -66.123
Base-Backbone interact. energy: 2.191
local terms energy: -138.800537
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -36.942
flat angles C4'-P-C4' energy: -36.583
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -945.964918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.964918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.964918 (E_RNA)
where:
Base-Base interactions energy: -652.992
where: short stacking energy: -270.799
Base-Backbone interact. energy: -1.016
local terms energy: -291.957449
where:
bonds (distance) C4'-P energy: -50.037
bonds (distance) P-C4' energy: -57.916
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -38.642
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -922.463582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.463582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.463582 (E_RNA)
where:
Base-Base interactions energy: -624.882
where: short stacking energy: -277.287
Base-Backbone interact. energy: -0.132
local terms energy: -297.449996
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -57.785
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -46.333
tors. eta vs tors. theta energy: -89.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -864.146855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.146855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.146855 (E_RNA)
where:
Base-Base interactions energy: -573.650
where: short stacking energy: -262.362
Base-Backbone interact. energy: -0.766
local terms energy: -289.730709
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -53.703
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -42.841
tors. eta vs tors. theta energy: -84.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -862.974036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.974036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.974036 (E_RNA)
where:
Base-Base interactions energy: -614.644
where: short stacking energy: -255.322
Base-Backbone interact. energy: -0.137
local terms energy: -248.192483
where:
bonds (distance) C4'-P energy: -54.072
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -67.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -839.467656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.467656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.467656 (E_RNA)
where:
Base-Base interactions energy: -591.716
where: short stacking energy: -243.547
Base-Backbone interact. energy: 0.360
local terms energy: -248.111234
where:
bonds (distance) C4'-P energy: -43.595
bonds (distance) P-C4' energy: -39.154
flat angles C4'-P-C4' energy: -57.313
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -74.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -810.535598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.535598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.535598 (E_RNA)
where:
Base-Base interactions energy: -584.772
where: short stacking energy: -242.172
Base-Backbone interact. energy: -0.178
local terms energy: -225.586447
where:
bonds (distance) C4'-P energy: -42.007
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -51.857
flat angles P-C4'-P energy: -20.334
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: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -744.750767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.750767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.750767 (E_RNA)
where:
Base-Base interactions energy: -507.034
where: short stacking energy: -207.394
Base-Backbone interact. energy: -0.183
local terms energy: -237.533682
where:
bonds (distance) C4'-P energy: -47.767
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -63.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -703.234271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.234271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.234271 (E_RNA)
where:
Base-Base interactions energy: -487.463
where: short stacking energy: -203.118
Base-Backbone interact. energy: -0.678
local terms energy: -215.093041
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -42.507
flat angles C4'-P-C4' energy: -52.001
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -51.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -567.829639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.829639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.829639 (E_RNA)
where:
Base-Base interactions energy: -381.163
where: short stacking energy: -168.071
Base-Backbone interact. energy: 0.324
local terms energy: -186.990964
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -34.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -221.638873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.638873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.638873 (E_RNA)
where:
Base-Base interactions energy: -66.602
where: short stacking energy: -58.608
Base-Backbone interact. energy: 2.307
local terms energy: -157.343560
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -39.720
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -29.535
tors. eta vs tors. theta energy: -5.399
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: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -946.265966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.265966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.265966 (E_RNA)
where:
Base-Base interactions energy: -658.606
where: short stacking energy: -290.572
Base-Backbone interact. energy: -0.874
local terms energy: -286.786493
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -47.561
flat angles C4'-P-C4' energy: -60.174
flat angles P-C4'-P energy: -39.946
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: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -927.931531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.931531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.931531 (E_RNA)
where:
Base-Base interactions energy: -638.520
where: short stacking energy: -268.514
Base-Backbone interact. energy: 1.059
local terms energy: -290.470646
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -57.226
flat angles C4'-P-C4' energy: -59.852
flat angles P-C4'-P energy: -39.242
tors. eta vs tors. theta energy: -83.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -862.279166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.279166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.279166 (E_RNA)
where:
Base-Base interactions energy: -586.412
where: short stacking energy: -261.803
Base-Backbone interact. energy: 1.389
local terms energy: -277.256167
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -53.301
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -41.692
tors. eta vs tors. theta energy: -77.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -842.051777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.051777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.051777 (E_RNA)
where:
Base-Base interactions energy: -589.164
where: short stacking energy: -239.941
Base-Backbone interact. energy: -0.448
local terms energy: -252.440270
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -74.603
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -853.975508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.975508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.975508 (E_RNA)
where:
Base-Base interactions energy: -600.452
where: short stacking energy: -264.470
Base-Backbone interact. energy: -0.704
local terms energy: -252.819294
where:
bonds (distance) C4'-P energy: -41.699
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -56.697
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -71.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -777.616262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.616262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.616262 (E_RNA)
where:
Base-Base interactions energy: -541.565
where: short stacking energy: -214.475
Base-Backbone interact. energy: 2.489
local terms energy: -238.540130
where:
bonds (distance) C4'-P energy: -44.433
bonds (distance) P-C4' energy: -48.348
flat angles C4'-P-C4' energy: -56.191
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -65.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -740.345416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.345416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.345416 (E_RNA)
where:
Base-Base interactions energy: -516.195
where: short stacking energy: -213.230
Base-Backbone interact. energy: -0.875
local terms energy: -223.275976
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -42.004
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -58.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -701.019871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.019871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.019871 (E_RNA)
where:
Base-Base interactions energy: -471.872
where: short stacking energy: -194.641
Base-Backbone interact. energy: -1.534
local terms energy: -227.614052
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -51.157
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -52.231
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: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -578.156349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.156349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.156349 (E_RNA)
where:
Base-Base interactions energy: -383.882
where: short stacking energy: -169.189
Base-Backbone interact. energy: -0.244
local terms energy: -194.030364
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -36.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -254.814800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.814800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.814800 (E_RNA)
where:
Base-Base interactions energy: -103.217
where: short stacking energy: -65.304
Base-Backbone interact. energy: -1.482
local terms energy: -150.115530
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -57.347
flat angles C4'-P-C4' energy: -41.631
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: 2.553
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: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -941.218007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.218007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.218007 (E_RNA)
where:
Base-Base interactions energy: -650.344
where: short stacking energy: -266.432
Base-Backbone interact. energy: 0.363
local terms energy: -291.237022
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -45.215
flat angles C4'-P-C4' energy: -65.569
flat angles P-C4'-P energy: -43.360
tors. eta vs tors. theta energy: -83.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -907.278829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.278829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.278829 (E_RNA)
where:
Base-Base interactions energy: -623.877
where: short stacking energy: -268.051
Base-Backbone interact. energy: -1.712
local terms energy: -281.689201
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -44.106
tors. eta vs tors. theta energy: -77.915
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -882.773028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.773028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.773028 (E_RNA)
where:
Base-Base interactions energy: -625.240
where: short stacking energy: -249.424
Base-Backbone interact. energy: 3.276
local terms energy: -260.808932
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -53.200
flat angles C4'-P-C4' energy: -53.188
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -74.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -811.268792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.268792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.268792 (E_RNA)
where:
Base-Base interactions energy: -553.998
where: short stacking energy: -237.290
Base-Backbone interact. energy: -0.692
local terms energy: -256.578838
where:
bonds (distance) C4'-P energy: -48.832
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -34.696
tors. eta vs tors. theta energy: -63.780
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: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -827.816303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.816303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.816303 (E_RNA)
where:
Base-Base interactions energy: -573.658
where: short stacking energy: -242.830
Base-Backbone interact. energy: 0.305
local terms energy: -254.463302
where:
bonds (distance) C4'-P energy: -47.415
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -48.006
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -74.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -846.260667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.260667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.260667 (E_RNA)
where:
Base-Base interactions energy: -581.062
where: short stacking energy: -241.391
Base-Backbone interact. energy: -0.754
local terms energy: -264.445123
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -766.181556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.181556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.181556 (E_RNA)
where:
Base-Base interactions energy: -518.405
where: short stacking energy: -225.543
Base-Backbone interact. energy: 0.021
local terms energy: -247.797820
where:
bonds (distance) C4'-P energy: -43.800
bonds (distance) P-C4' energy: -56.999
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: -68.023
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: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -717.581180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.581180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.581180 (E_RNA)
where:
Base-Base interactions energy: -496.143
where: short stacking energy: -204.249
Base-Backbone interact. energy: 0.421
local terms energy: -221.858652
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: -51.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -541.652826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.652826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.652826 (E_RNA)
where:
Base-Base interactions energy: -354.386
where: short stacking energy: -159.758
Base-Backbone interact. energy: 1.030
local terms energy: -188.297275
where:
bonds (distance) C4'-P energy: -31.808
bonds (distance) P-C4' energy: -47.977
flat angles C4'-P-C4' energy: -44.184
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -27.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -242.894476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.894476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.894476 (E_RNA)
where:
Base-Base interactions energy: -127.846
where: short stacking energy: -85.621
Base-Backbone interact. energy: 3.168
local terms energy: -118.216961
where:
bonds (distance) C4'-P energy: -34.623
bonds (distance) P-C4' energy: -40.745
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: 3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -940.302827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.302827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.302827 (E_RNA)
where:
Base-Base interactions energy: -647.598
where: short stacking energy: -284.671
Base-Backbone interact. energy: -1.371
local terms energy: -291.333036
where:
bonds (distance) C4'-P energy: -55.895
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -59.160
flat angles P-C4'-P energy: -37.773
tors. eta vs tors. theta energy: -87.021
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: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -933.490495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.490495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.490495 (E_RNA)
where:
Base-Base interactions energy: -643.321
where: short stacking energy: -278.739
Base-Backbone interact. energy: -0.534
local terms energy: -289.634896
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -60.463
flat angles C4'-P-C4' energy: -54.003
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -83.332
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: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -884.435189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.435189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.435189 (E_RNA)
where:
Base-Base interactions energy: -607.495
where: short stacking energy: -267.797
Base-Backbone interact. energy: -1.100
local terms energy: -275.839880
where:
bonds (distance) C4'-P energy: -39.168
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -79.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -851.288445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.288445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.288445 (E_RNA)
where:
Base-Base interactions energy: -574.400
where: short stacking energy: -244.861
Base-Backbone interact. energy: -0.304
local terms energy: -276.584296
where:
bonds (distance) C4'-P energy: -48.672
bonds (distance) P-C4' energy: -56.415
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -43.138
tors. eta vs tors. theta energy: -70.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -804.154189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.154189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.154189 (E_RNA)
where:
Base-Base interactions energy: -545.515
where: short stacking energy: -234.492
Base-Backbone interact. energy: -0.638
local terms energy: -258.000980
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -68.023
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: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -824.589674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.589674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.589674 (E_RNA)
where:
Base-Base interactions energy: -567.114
where: short stacking energy: -230.658
Base-Backbone interact. energy: 0.432
local terms energy: -257.907300
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -55.633
flat angles C4'-P-C4' energy: -55.879
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -63.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -752.676588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.676588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.676588 (E_RNA)
where:
Base-Base interactions energy: -530.624
where: short stacking energy: -216.213
Base-Backbone interact. energy: -1.232
local terms energy: -220.820215
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -50.979
flat angles P-C4'-P energy: -32.591
tors. eta vs tors. theta energy: -51.325
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: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -720.529364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.529364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.529364 (E_RNA)
where:
Base-Base interactions energy: -489.118
where: short stacking energy: -196.191
Base-Backbone interact. energy: -1.506
local terms energy: -229.905846
where:
bonds (distance) C4'-P energy: -42.583
bonds (distance) P-C4' energy: -44.223
flat angles C4'-P-C4' energy: -53.298
flat angles P-C4'-P energy: -39.541
tors. eta vs tors. theta energy: -50.261
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -567.053123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.053123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.053123 (E_RNA)
where:
Base-Base interactions energy: -367.069
where: short stacking energy: -163.675
Base-Backbone interact. energy: -1.045
local terms energy: -198.939535
where:
bonds (distance) C4'-P energy: -43.752
bonds (distance) P-C4' energy: -40.411
flat angles C4'-P-C4' energy: -46.629
flat angles P-C4'-P energy: -27.738
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: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -219.343654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.343654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.343654 (E_RNA)
where:
Base-Base interactions energy: -70.643
where: short stacking energy: -66.518
Base-Backbone interact. energy: 1.338
local terms energy: -150.038912
where:
bonds (distance) C4'-P energy: -47.735
bonds (distance) P-C4' energy: -49.282
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: 0.703
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: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -939.267991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.267991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.267991 (E_RNA)
where:
Base-Base interactions energy: -651.318
where: short stacking energy: -288.116
Base-Backbone interact. energy: -0.672
local terms energy: -287.277792
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -69.492
flat angles P-C4'-P energy: -44.273
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: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -932.554876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.554876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.554876 (E_RNA)
where:
Base-Base interactions energy: -632.886
where: short stacking energy: -281.342
Base-Backbone interact. energy: -0.723
local terms energy: -298.945952
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -62.341
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -92.896
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: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -867.472100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.472100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.472100 (E_RNA)
where:
Base-Base interactions energy: -594.024
where: short stacking energy: -251.343
Base-Backbone interact. energy: -2.538
local terms energy: -270.909110
where:
bonds (distance) C4'-P energy: -49.467
bonds (distance) P-C4' energy: -49.874
flat angles C4'-P-C4' energy: -65.410
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -67.081
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -879.194000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.194000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.194000 (E_RNA)
where:
Base-Base interactions energy: -614.148
where: short stacking energy: -265.114
Base-Backbone interact. energy: 1.015
local terms energy: -266.060252
where:
bonds (distance) C4'-P energy: -51.024
bonds (distance) P-C4' energy: -44.303
flat angles C4'-P-C4' energy: -57.955
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -72.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -841.295272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.295272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.295272 (E_RNA)
where:
Base-Base interactions energy: -598.199
where: short stacking energy: -255.249
Base-Backbone interact. energy: -0.272
local terms energy: -242.824890
where:
bonds (distance) C4'-P energy: -40.138
bonds (distance) P-C4' energy: -42.784
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -70.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -792.161669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.161669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.161669 (E_RNA)
where:
Base-Base interactions energy: -535.816
where: short stacking energy: -238.678
Base-Backbone interact. energy: -2.095
local terms energy: -254.250751
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -49.277
flat angles C4'-P-C4' energy: -54.624
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -76.297
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: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -782.088448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.088448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.088448 (E_RNA)
where:
Base-Base interactions energy: -540.050
where: short stacking energy: -217.831
Base-Backbone interact. energy: -1.386
local terms energy: -240.652898
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -29.699
tors. eta vs tors. theta energy: -60.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -665.684965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.684965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.684965 (E_RNA)
where:
Base-Base interactions energy: -450.158
where: short stacking energy: -161.144
Base-Backbone interact. energy: -0.429
local terms energy: -215.098230
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -43.992
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -29.047
tors. eta vs tors. theta energy: -36.068
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -575.298289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.298289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.298289 (E_RNA)
where:
Base-Base interactions energy: -383.622
where: short stacking energy: -176.259
Base-Backbone interact. energy: 0.145
local terms energy: -191.820985
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -37.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -230.798480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.798480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.798480 (E_RNA)
where:
Base-Base interactions energy: -95.691
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.449
local terms energy: -134.658323
where:
bonds (distance) C4'-P energy: -53.844
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -45.248
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: 15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -961.366245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.366245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.366245 (E_RNA)
where:
Base-Base interactions energy: -662.242
where: short stacking energy: -289.460
Base-Backbone interact. energy: -0.476
local terms energy: -298.647566
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -55.687
flat angles C4'-P-C4' energy: -61.100
flat angles P-C4'-P energy: -45.850
tors. eta vs tors. theta energy: -86.048
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: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -933.116897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.116897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.116897 (E_RNA)
where:
Base-Base interactions energy: -629.034
where: short stacking energy: -280.766
Base-Backbone interact. energy: -1.673
local terms energy: -302.409618
where:
bonds (distance) C4'-P energy: -55.750
bonds (distance) P-C4' energy: -57.691
flat angles C4'-P-C4' energy: -65.720
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -85.720
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: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -829.336112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.336112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.336112 (E_RNA)
where:
Base-Base interactions energy: -545.105
where: short stacking energy: -234.790
Base-Backbone interact. energy: -0.454
local terms energy: -283.777045
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -49.359
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -51.960
tors. eta vs tors. theta energy: -65.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -814.705121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.705121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.705121 (E_RNA)
where:
Base-Base interactions energy: -547.271
where: short stacking energy: -240.392
Base-Backbone interact. energy: -0.583
local terms energy: -266.851083
where:
bonds (distance) C4'-P energy: -54.705
bonds (distance) P-C4' energy: -53.414
flat angles C4'-P-C4' energy: -52.175
flat angles P-C4'-P energy: -39.392
tors. eta vs tors. theta energy: -67.165
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: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -829.102119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.102119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.102119 (E_RNA)
where:
Base-Base interactions energy: -559.858
where: short stacking energy: -250.737
Base-Backbone interact. energy: -0.703
local terms energy: -268.541844
where:
bonds (distance) C4'-P energy: -52.586
bonds (distance) P-C4' energy: -46.808
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -76.176
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: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -797.252729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.252729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.252729 (E_RNA)
where:
Base-Base interactions energy: -536.814
where: short stacking energy: -225.308
Base-Backbone interact. energy: -0.868
local terms energy: -259.570233
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -45.587
tors. eta vs tors. theta energy: -69.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -781.814926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.814926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.814926 (E_RNA)
where:
Base-Base interactions energy: -533.801
where: short stacking energy: -246.264
Base-Backbone interact. energy: -0.731
local terms energy: -247.282860
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: -70.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -684.813123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.813123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.813123 (E_RNA)
where:
Base-Base interactions energy: -473.994
where: short stacking energy: -189.799
Base-Backbone interact. energy: -0.035
local terms energy: -210.784511
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -45.647
flat angles C4'-P-C4' energy: -54.225
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -42.785
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: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -559.775389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.775389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.775389 (E_RNA)
where:
Base-Base interactions energy: -370.812
where: short stacking energy: -172.635
Base-Backbone interact. energy: -1.363
local terms energy: -187.600716
where:
bonds (distance) C4'-P energy: -32.866
bonds (distance) P-C4' energy: -47.757
flat angles C4'-P-C4' energy: -42.300
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -35.676
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: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -222.466693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.466693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.466693 (E_RNA)
where:
Base-Base interactions energy: -96.404
where: short stacking energy: -77.111
Base-Backbone interact. energy: -0.322
local terms energy: -125.740763
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -47.509
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: 3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -951.486678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.486678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.486678 (E_RNA)
where:
Base-Base interactions energy: -667.064
where: short stacking energy: -294.145
Base-Backbone interact. energy: -1.164
local terms energy: -283.258348
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -58.245
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: -84.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -961.497120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.497120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.497120 (E_RNA)
where:
Base-Base interactions energy: -656.886
where: short stacking energy: -298.521
Base-Backbone interact. energy: 0.015
local terms energy: -304.625846
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -60.081
flat angles C4'-P-C4' energy: -58.951
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -93.178
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: 226
Temperature: 1.000000
Total energy: -861.183616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.183616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.183616 (E_RNA)
where:
Base-Base interactions energy: -601.587
where: short stacking energy: -243.055
Base-Backbone interact. energy: -0.806
local terms energy: -258.790272
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -57.111
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -64.911
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: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -801.351386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.351386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.351386 (E_RNA)
where:
Base-Base interactions energy: -545.406
where: short stacking energy: -247.208
Base-Backbone interact. energy: -1.123
local terms energy: -254.822548
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -55.957
flat angles P-C4'-P energy: -33.957
tors. eta vs tors. theta energy: -68.744
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: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -835.138947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.138947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.138947 (E_RNA)
where:
Base-Base interactions energy: -576.781
where: short stacking energy: -253.725
Base-Backbone interact. energy: -0.796
local terms energy: -257.562001
where:
bonds (distance) C4'-P energy: -56.275
bonds (distance) P-C4' energy: -53.102
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -27.503
tors. eta vs tors. theta energy: -64.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -751.408980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.408980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.408980 (E_RNA)
where:
Base-Base interactions energy: -514.425
where: short stacking energy: -205.266
Base-Backbone interact. energy: -0.368
local terms energy: -236.616047
where:
bonds (distance) C4'-P energy: -52.623
bonds (distance) P-C4' energy: -43.445
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -28.862
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: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -777.668131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.668131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.668131 (E_RNA)
where:
Base-Base interactions energy: -524.538
where: short stacking energy: -225.912
Base-Backbone interact. energy: 1.882
local terms energy: -255.011949
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -48.152
flat angles C4'-P-C4' energy: -48.338
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -65.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -736.258359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.258359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.258359 (E_RNA)
where:
Base-Base interactions energy: -485.862
where: short stacking energy: -207.624
Base-Backbone interact. energy: -0.540
local terms energy: -249.855576
where:
bonds (distance) C4'-P energy: -48.127
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -61.728
flat angles P-C4'-P energy: -32.718
tors. eta vs tors. theta energy: -50.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -620.874613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.874613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.874613 (E_RNA)
where:
Base-Base interactions energy: -418.720
where: short stacking energy: -195.780
Base-Backbone interact. energy: -0.695
local terms energy: -201.459604
where:
bonds (distance) C4'-P energy: -31.847
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -44.085
flat angles P-C4'-P energy: -34.164
tors. eta vs tors. theta energy: -51.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -227.301398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.301398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.301398 (E_RNA)
where:
Base-Base interactions energy: -77.650
where: short stacking energy: -53.756
Base-Backbone interact. energy: 1.979
local terms energy: -151.631207
where:
bonds (distance) C4'-P energy: -51.797
bonds (distance) P-C4' energy: -52.737
flat angles C4'-P-C4' energy: -32.784
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: 8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -976.164275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.164275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.164275 (E_RNA)
where:
Base-Base interactions energy: -681.759
where: short stacking energy: -286.079
Base-Backbone interact. energy: -0.337
local terms energy: -294.068513
where:
bonds (distance) C4'-P energy: -57.246
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -62.182
flat angles P-C4'-P energy: -42.350
tors. eta vs tors. theta energy: -82.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -949.943412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.943412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.943412 (E_RNA)
where:
Base-Base interactions energy: -657.779
where: short stacking energy: -282.845
Base-Backbone interact. energy: -2.071
local terms energy: -290.093184
where:
bonds (distance) C4'-P energy: -50.549
bonds (distance) P-C4' energy: -49.020
flat angles C4'-P-C4' energy: -58.836
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -87.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -871.800437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.800437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.800437 (E_RNA)
where:
Base-Base interactions energy: -603.462
where: short stacking energy: -252.324
Base-Backbone interact. energy: -4.138
local terms energy: -264.200620
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -58.593
flat angles C4'-P-C4' energy: -55.580
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -66.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -872.520243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.520243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.520243 (E_RNA)
where:
Base-Base interactions energy: -602.850
where: short stacking energy: -234.950
Base-Backbone interact. energy: -1.457
local terms energy: -268.213257
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -54.392
flat angles C4'-P-C4' energy: -56.004
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -72.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -782.666009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.666009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.666009 (E_RNA)
where:
Base-Base interactions energy: -527.764
where: short stacking energy: -228.692
Base-Backbone interact. energy: 0.335
local terms energy: -255.237140
where:
bonds (distance) C4'-P energy: -47.714
bonds (distance) P-C4' energy: -50.000
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -792.807658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.807658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.807658 (E_RNA)
where:
Base-Base interactions energy: -556.411
where: short stacking energy: -245.558
Base-Backbone interact. energy: -1.596
local terms energy: -234.800842
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -69.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -752.134586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.134586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.134586 (E_RNA)
where:
Base-Base interactions energy: -524.787
where: short stacking energy: -204.026
Base-Backbone interact. energy: -0.653
local terms energy: -226.694690
where:
bonds (distance) C4'-P energy: -40.360
bonds (distance) P-C4' energy: -46.816
flat angles C4'-P-C4' energy: -49.094
flat angles P-C4'-P energy: -33.125
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -706.793488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.793488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.793488 (E_RNA)
where:
Base-Base interactions energy: -492.147
where: short stacking energy: -200.947
Base-Backbone interact. energy: 0.035
local terms energy: -214.681962
where:
bonds (distance) C4'-P energy: -30.748
bonds (distance) P-C4' energy: -49.135
flat angles C4'-P-C4' energy: -52.655
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -48.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -583.576356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.576356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.576356 (E_RNA)
where:
Base-Base interactions energy: -391.547
where: short stacking energy: -179.447
Base-Backbone interact. energy: -0.850
local terms energy: -191.179300
where:
bonds (distance) C4'-P energy: -38.611
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -38.879
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: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -226.045187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.045187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.045187 (E_RNA)
where:
Base-Base interactions energy: -88.329
where: short stacking energy: -72.079
Base-Backbone interact. energy: 1.354
local terms energy: -139.070672
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -43.409
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: 8.638
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: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -971.219494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.219494 (E_RNA)
where:
Base-Base interactions energy: -677.703
where: short stacking energy: -294.615
Base-Backbone interact. energy: -0.101
local terms energy: -293.415003
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -54.641
flat angles C4'-P-C4' energy: -63.881
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: -82.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -928.066998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.066998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.066998 (E_RNA)
where:
Base-Base interactions energy: -658.573
where: short stacking energy: -265.249
Base-Backbone interact. energy: 0.846
local terms energy: -270.339657
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -52.486
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -83.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -878.532591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.532591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.532591 (E_RNA)
where:
Base-Base interactions energy: -624.053
where: short stacking energy: -258.361
Base-Backbone interact. energy: 1.548
local terms energy: -256.028012
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -48.637
flat angles C4'-P-C4' energy: -60.402
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -69.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -910.604151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.604151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.604151 (E_RNA)
where:
Base-Base interactions energy: -632.035
where: short stacking energy: -260.059
Base-Backbone interact. energy: 0.579
local terms energy: -279.148038
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -35.285
tors. eta vs tors. theta energy: -77.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -805.724905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.724905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.724905 (E_RNA)
where:
Base-Base interactions energy: -560.977
where: short stacking energy: -239.576
Base-Backbone interact. energy: -0.417
local terms energy: -244.330747
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -45.758
flat angles C4'-P-C4' energy: -54.865
flat angles P-C4'-P energy: -34.787
tors. eta vs tors. theta energy: -65.442
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -759.272230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.272230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.272230 (E_RNA)
where:
Base-Base interactions energy: -515.662
where: short stacking energy: -225.230
Base-Backbone interact. energy: 1.985
local terms energy: -245.595819
where:
bonds (distance) C4'-P energy: -45.933
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -56.065
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -63.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -752.151410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.151410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.151410 (E_RNA)
where:
Base-Base interactions energy: -504.212
where: short stacking energy: -215.001
Base-Backbone interact. energy: -1.040
local terms energy: -246.898580
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -44.694
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -59.994
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: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -716.173936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.173936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.173936 (E_RNA)
where:
Base-Base interactions energy: -489.392
where: short stacking energy: -210.145
Base-Backbone interact. energy: -0.298
local terms energy: -226.483746
where:
bonds (distance) C4'-P energy: -43.530
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -60.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -557.703700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.703700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.703700 (E_RNA)
where:
Base-Base interactions energy: -367.032
where: short stacking energy: -148.861
Base-Backbone interact. energy: 0.470
local terms energy: -191.141809
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -41.900
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -29.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -256.344851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.344851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.344851 (E_RNA)
where:
Base-Base interactions energy: -97.115
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.573
local terms energy: -158.656767
where:
bonds (distance) C4'-P energy: -53.887
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -947.778472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.778472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.778472 (E_RNA)
where:
Base-Base interactions energy: -655.688
where: short stacking energy: -278.339
Base-Backbone interact. energy: -2.825
local terms energy: -289.265269
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -61.005
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: -79.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -940.272163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.272163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.272163 (E_RNA)
where:
Base-Base interactions energy: -655.982
where: short stacking energy: -281.081
Base-Backbone interact. energy: -0.268
local terms energy: -284.021532
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -56.835
flat angles C4'-P-C4' energy: -60.442
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -91.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -891.780966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.780966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.780966 (E_RNA)
where:
Base-Base interactions energy: -622.916
where: short stacking energy: -256.938
Base-Backbone interact. energy: -0.591
local terms energy: -268.273688
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -63.340
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -67.283
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: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -913.600060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.600060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.600060 (E_RNA)
where:
Base-Base interactions energy: -636.714
where: short stacking energy: -245.987
Base-Backbone interact. energy: -0.926
local terms energy: -275.960745
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -57.859
flat angles C4'-P-C4' energy: -64.021
flat angles P-C4'-P energy: -39.840
tors. eta vs tors. theta energy: -80.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -816.627273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.627273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.627273 (E_RNA)
where:
Base-Base interactions energy: -584.769
where: short stacking energy: -248.209
Base-Backbone interact. energy: -1.272
local terms energy: -230.586598
where:
bonds (distance) C4'-P energy: -31.563
bonds (distance) P-C4' energy: -40.055
flat angles C4'-P-C4' energy: -57.810
flat angles P-C4'-P energy: -37.421
tors. eta vs tors. theta energy: -63.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -794.705052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.705052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.705052 (E_RNA)
where:
Base-Base interactions energy: -552.898
where: short stacking energy: -235.994
Base-Backbone interact. energy: -0.185
local terms energy: -241.621974
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -49.899
flat angles C4'-P-C4' energy: -51.767
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -64.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -732.927152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.927152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.927152 (E_RNA)
where:
Base-Base interactions energy: -496.943
where: short stacking energy: -213.729
Base-Backbone interact. energy: -0.312
local terms energy: -235.671984
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -42.592
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -57.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -699.934871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.934871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.934871 (E_RNA)
where:
Base-Base interactions energy: -480.119
where: short stacking energy: -184.799
Base-Backbone interact. energy: -1.137
local terms energy: -218.678619
where:
bonds (distance) C4'-P energy: -40.167
bonds (distance) P-C4' energy: -50.537
flat angles C4'-P-C4' energy: -52.837
flat angles P-C4'-P energy: -34.554
tors. eta vs tors. theta energy: -40.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -583.861286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.861286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.861286 (E_RNA)
where:
Base-Base interactions energy: -385.186
where: short stacking energy: -179.375
Base-Backbone interact. energy: -0.872
local terms energy: -197.803262
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -41.336
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -37.927
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: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -274.966402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.966402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.966402 (E_RNA)
where:
Base-Base interactions energy: -112.293
where: short stacking energy: -101.107
Base-Backbone interact. energy: -0.553
local terms energy: -162.120761
where:
bonds (distance) C4'-P energy: -46.189
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -947.699830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.699830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.699830 (E_RNA)
where:
Base-Base interactions energy: -659.199
where: short stacking energy: -280.574
Base-Backbone interact. energy: -1.287
local terms energy: -287.213968
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -57.868
flat angles P-C4'-P energy: -42.811
tors. eta vs tors. theta energy: -83.270
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: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -944.692617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.692617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.692617 (E_RNA)
where:
Base-Base interactions energy: -651.746
where: short stacking energy: -282.794
Base-Backbone interact. energy: -2.137
local terms energy: -290.809481
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -64.805
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -84.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -918.553296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.553296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.553296 (E_RNA)
where:
Base-Base interactions energy: -637.867
where: short stacking energy: -241.825
Base-Backbone interact. energy: 1.304
local terms energy: -281.990045
where:
bonds (distance) C4'-P energy: -52.236
bonds (distance) P-C4' energy: -62.184
flat angles C4'-P-C4' energy: -54.253
flat angles P-C4'-P energy: -40.008
tors. eta vs tors. theta energy: -73.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -885.957910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.957910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.957910 (E_RNA)
where:
Base-Base interactions energy: -615.661
where: short stacking energy: -259.062
Base-Backbone interact. energy: -0.751
local terms energy: -269.546311
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -43.730
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -833.818226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.818226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.818226 (E_RNA)
where:
Base-Base interactions energy: -594.258
where: short stacking energy: -224.219
Base-Backbone interact. energy: -0.719
local terms energy: -238.841046
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -64.450
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -780.266218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.266218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.266218 (E_RNA)
where:
Base-Base interactions energy: -550.044
where: short stacking energy: -230.119
Base-Backbone interact. energy: -1.252
local terms energy: -228.970415
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -37.452
flat angles C4'-P-C4' energy: -53.584
flat angles P-C4'-P energy: -31.805
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: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -728.604636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.604636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.604636 (E_RNA)
where:
Base-Base interactions energy: -492.891
where: short stacking energy: -195.283
Base-Backbone interact. energy: -1.563
local terms energy: -234.150203
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -41.070
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -53.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -682.331296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.331296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.331296 (E_RNA)
where:
Base-Base interactions energy: -449.288
where: short stacking energy: -170.146
Base-Backbone interact. energy: 0.951
local terms energy: -233.993658
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -52.992
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -32.626
tors. eta vs tors. theta energy: -49.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -571.675838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.675838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.675838 (E_RNA)
where:
Base-Base interactions energy: -374.386
where: short stacking energy: -168.581
Base-Backbone interact. energy: -1.971
local terms energy: -195.319151
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -29.881
tors. eta vs tors. theta energy: -44.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -278.920566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.920566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.920566 (E_RNA)
where:
Base-Base interactions energy: -125.882
where: short stacking energy: -75.604
Base-Backbone interact. energy: 3.342
local terms energy: -156.380033
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -49.798
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -2.607
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: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -960.780078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.780078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.780078 (E_RNA)
where:
Base-Base interactions energy: -665.298
where: short stacking energy: -283.585
Base-Backbone interact. energy: 0.499
local terms energy: -295.981074
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -59.223
flat angles C4'-P-C4' energy: -63.141
flat angles P-C4'-P energy: -43.841
tors. eta vs tors. theta energy: -82.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -941.056726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.056726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.056726 (E_RNA)
where:
Base-Base interactions energy: -655.666
where: short stacking energy: -275.912
Base-Backbone interact. energy: -2.429
local terms energy: -282.961786
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -45.758
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -35.617
tors. eta vs tors. theta energy: -86.770
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: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -899.774572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.774572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.774572 (E_RNA)
where:
Base-Base interactions energy: -626.467
where: short stacking energy: -254.761
Base-Backbone interact. energy: -0.304
local terms energy: -273.003762
where:
bonds (distance) C4'-P energy: -42.064
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -37.779
tors. eta vs tors. theta energy: -80.508
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: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -887.122011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.122011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.122011 (E_RNA)
where:
Base-Base interactions energy: -616.536
where: short stacking energy: -260.860
Base-Backbone interact. energy: 1.034
local terms energy: -271.619757
where:
bonds (distance) C4'-P energy: -44.832
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -66.623
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -72.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -819.971355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.971355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.971355 (E_RNA)
where:
Base-Base interactions energy: -565.858
where: short stacking energy: -236.841
Base-Backbone interact. energy: -2.051
local terms energy: -252.062652
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -67.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -801.714610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.714610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.714610 (E_RNA)
where:
Base-Base interactions energy: -549.509
where: short stacking energy: -231.164
Base-Backbone interact. energy: -0.382
local terms energy: -251.823106
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -69.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -709.951738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.951738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.951738 (E_RNA)
where:
Base-Base interactions energy: -476.863
where: short stacking energy: -213.435
Base-Backbone interact. energy: -0.457
local terms energy: -232.631917
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -48.236
flat angles P-C4'-P energy: -26.552
tors. eta vs tors. theta energy: -56.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -685.243876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.243876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.243876 (E_RNA)
where:
Base-Base interactions energy: -467.030
where: short stacking energy: -192.223
Base-Backbone interact. energy: -0.805
local terms energy: -217.408777
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -51.431
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -43.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -598.885480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.885480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.885480 (E_RNA)
where:
Base-Base interactions energy: -379.560
where: short stacking energy: -169.938
Base-Backbone interact. energy: -0.947
local terms energy: -218.377847
where:
bonds (distance) C4'-P energy: -47.834
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -47.098
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -50.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -306.168512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.168512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.168512 (E_RNA)
where:
Base-Base interactions energy: -168.412
where: short stacking energy: -92.163
Base-Backbone interact. energy: -1.063
local terms energy: -136.694222
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -45.200
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: 3.693
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -956.112007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.112007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.112007 (E_RNA)
where:
Base-Base interactions energy: -668.641
where: short stacking energy: -282.324
Base-Backbone interact. energy: -1.563
local terms energy: -285.907980
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -48.619
tors. eta vs tors. theta energy: -74.575
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: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -937.740025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.740025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.740025 (E_RNA)
where:
Base-Base interactions energy: -647.095
where: short stacking energy: -272.901
Base-Backbone interact. energy: -0.899
local terms energy: -289.745913
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -61.345
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -86.898
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -901.997108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.997108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.997108 (E_RNA)
where:
Base-Base interactions energy: -630.393
where: short stacking energy: -266.924
Base-Backbone interact. energy: -1.553
local terms energy: -270.050935
where:
bonds (distance) C4'-P energy: -51.837
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -58.712
flat angles P-C4'-P energy: -38.625
tors. eta vs tors. theta energy: -73.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -865.991162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.991162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.991162 (E_RNA)
where:
Base-Base interactions energy: -604.876
where: short stacking energy: -234.540
Base-Backbone interact. energy: 0.336
local terms energy: -261.450770
where:
bonds (distance) C4'-P energy: -51.653
bonds (distance) P-C4' energy: -44.141
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -38.265
tors. eta vs tors. theta energy: -74.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -816.796576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.796576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.796576 (E_RNA)
where:
Base-Base interactions energy: -551.692
where: short stacking energy: -228.142
Base-Backbone interact. energy: 0.316
local terms energy: -265.420343
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -52.772
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -64.736
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: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -837.309529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.309529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.309529 (E_RNA)
where:
Base-Base interactions energy: -573.615
where: short stacking energy: -253.285
Base-Backbone interact. energy: -0.502
local terms energy: -263.193054
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -38.516
flat angles C4'-P-C4' energy: -60.821
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -75.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -723.489100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.489100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.489100 (E_RNA)
where:
Base-Base interactions energy: -482.359
where: short stacking energy: -214.464
Base-Backbone interact. energy: 0.076
local terms energy: -241.205659
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -53.798
flat angles P-C4'-P energy: -34.913
tors. eta vs tors. theta energy: -62.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -695.919087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.919087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.919087 (E_RNA)
where:
Base-Base interactions energy: -471.885
where: short stacking energy: -200.062
Base-Backbone interact. energy: -0.422
local terms energy: -223.611625
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -47.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -584.482489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.482489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.482489 (E_RNA)
where:
Base-Base interactions energy: -384.841
where: short stacking energy: -167.406
Base-Backbone interact. energy: -1.196
local terms energy: -198.445573
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -44.609
flat angles C4'-P-C4' energy: -45.453
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -33.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -278.558334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.558334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.558334 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.623
local terms energy: -158.379643
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -40.222
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: 0.214
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: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -976.276385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.276385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.276385 (E_RNA)
where:
Base-Base interactions energy: -668.051
where: short stacking energy: -293.383
Base-Backbone interact. energy: -1.129
local terms energy: -307.096369
where:
bonds (distance) C4'-P energy: -56.397
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -63.471
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: -83.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -933.392608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.392608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.392608 (E_RNA)
where:
Base-Base interactions energy: -648.799
where: short stacking energy: -289.535
Base-Backbone interact. energy: 0.284
local terms energy: -284.877532
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -41.810
tors. eta vs tors. theta energy: -91.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -886.560829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.560829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.560829 (E_RNA)
where:
Base-Base interactions energy: -612.559
where: short stacking energy: -268.951
Base-Backbone interact. energy: -1.238
local terms energy: -272.763280
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -61.928
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -71.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -839.264124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.264124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.264124 (E_RNA)
where:
Base-Base interactions energy: -577.690
where: short stacking energy: -246.104
Base-Backbone interact. energy: -0.411
local terms energy: -261.163477
where:
bonds (distance) C4'-P energy: -47.402
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -55.895
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -76.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -848.462435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.462435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.462435 (E_RNA)
where:
Base-Base interactions energy: -587.787
where: short stacking energy: -241.451
Base-Backbone interact. energy: 1.047
local terms energy: -261.722627
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -38.092
tors. eta vs tors. theta energy: -70.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -802.121991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.121991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.121991 (E_RNA)
where:
Base-Base interactions energy: -549.590
where: short stacking energy: -220.062
Base-Backbone interact. energy: 0.296
local terms energy: -252.828023
where:
bonds (distance) C4'-P energy: -40.230
bonds (distance) P-C4' energy: -61.200
flat angles C4'-P-C4' energy: -51.050
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -66.913
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: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -711.453203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.453203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.453203 (E_RNA)
where:
Base-Base interactions energy: -491.210
where: short stacking energy: -206.579
Base-Backbone interact. energy: -0.618
local terms energy: -219.624958
where:
bonds (distance) C4'-P energy: -42.534
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -46.292
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -53.912
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: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -733.478797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.478797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.478797 (E_RNA)
where:
Base-Base interactions energy: -504.059
where: short stacking energy: -213.649
Base-Backbone interact. energy: -0.748
local terms energy: -228.671709
where:
bonds (distance) C4'-P energy: -46.481
bonds (distance) P-C4' energy: -45.253
flat angles C4'-P-C4' energy: -41.108
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -53.858
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: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -582.746332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.746332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.746332 (E_RNA)
where:
Base-Base interactions energy: -379.174
where: short stacking energy: -165.783
Base-Backbone interact. energy: 0.212
local terms energy: -203.784882
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -44.128
flat angles C4'-P-C4' energy: -57.875
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -230.330562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.330562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330562 (E_RNA)
where:
Base-Base interactions energy: -88.938
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.152
local terms energy: -141.239984
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: 6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -957.519386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.519386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.519386 (E_RNA)
where:
Base-Base interactions energy: -668.795
where: short stacking energy: -289.186
Base-Backbone interact. energy: -0.555
local terms energy: -288.169146
where:
bonds (distance) C4'-P energy: -53.103
bonds (distance) P-C4' energy: -45.171
flat angles C4'-P-C4' energy: -68.740
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: -82.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -930.171135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.171135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.171135 (E_RNA)
where:
Base-Base interactions energy: -638.990
where: short stacking energy: -264.649
Base-Backbone interact. energy: -0.967
local terms energy: -290.214530
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -58.729
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -79.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -852.609167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.609167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.609167 (E_RNA)
where:
Base-Base interactions energy: -593.911
where: short stacking energy: -255.649
Base-Backbone interact. energy: -0.894
local terms energy: -257.804187
where:
bonds (distance) C4'-P energy: -44.533
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -74.876
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: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -854.888618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.888618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.888618 (E_RNA)
where:
Base-Base interactions energy: -592.512
where: short stacking energy: -265.421
Base-Backbone interact. energy: 0.784
local terms energy: -263.159983
where:
bonds (distance) C4'-P energy: -44.670
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: -71.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -837.650379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.650379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.650379 (E_RNA)
where:
Base-Base interactions energy: -571.820
where: short stacking energy: -250.066
Base-Backbone interact. energy: -0.499
local terms energy: -265.331666
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -53.860
flat angles C4'-P-C4' energy: -52.289
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -73.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -822.394446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.394446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.394446 (E_RNA)
where:
Base-Base interactions energy: -569.002
where: short stacking energy: -232.485
Base-Backbone interact. energy: -0.421
local terms energy: -252.970576
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -51.883
flat angles C4'-P-C4' energy: -53.439
flat angles P-C4'-P energy: -31.312
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: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -746.988094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.988094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.988094 (E_RNA)
where:
Base-Base interactions energy: -506.016
where: short stacking energy: -205.173
Base-Backbone interact. energy: 2.289
local terms energy: -243.261296
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -60.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -725.648627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.648627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.648627 (E_RNA)
where:
Base-Base interactions energy: -472.349
where: short stacking energy: -209.392
Base-Backbone interact. energy: -0.909
local terms energy: -252.390183
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -35.532
tors. eta vs tors. theta energy: -52.439
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: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -514.415241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.415241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.415241 (E_RNA)
where:
Base-Base interactions energy: -316.945
where: short stacking energy: -132.513
Base-Backbone interact. energy: 0.637
local terms energy: -198.106607
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -55.600
flat angles C4'-P-C4' energy: -43.071
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -30.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -227.878264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.878264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878264 (E_RNA)
where:
Base-Base interactions energy: -88.669
where: short stacking energy: -57.350
Base-Backbone interact. energy: -1.922
local terms energy: -137.287024
where:
bonds (distance) C4'-P energy: -38.798
bonds (distance) P-C4' energy: -49.567
flat angles C4'-P-C4' energy: -32.810
flat angles P-C4'-P energy: -23.426
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: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -969.723037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.723037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.723037 (E_RNA)
where:
Base-Base interactions energy: -667.527
where: short stacking energy: -280.850
Base-Backbone interact. energy: -1.752
local terms energy: -300.444284
where:
bonds (distance) C4'-P energy: -53.256
bonds (distance) P-C4' energy: -62.159
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -40.929
tors. eta vs tors. theta energy: -82.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -918.507777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.507777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.507777 (E_RNA)
where:
Base-Base interactions energy: -633.015
where: short stacking energy: -264.989
Base-Backbone interact. energy: -0.734
local terms energy: -284.757829
where:
bonds (distance) C4'-P energy: -58.327
bonds (distance) P-C4' energy: -44.233
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -41.887
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: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -883.931181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.931181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.931181 (E_RNA)
where:
Base-Base interactions energy: -600.393
where: short stacking energy: -277.562
Base-Backbone interact. energy: -1.846
local terms energy: -281.692297
where:
bonds (distance) C4'-P energy: -55.230
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -74.974
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: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -879.765894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.765894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.765894 (E_RNA)
where:
Base-Base interactions energy: -605.335
where: short stacking energy: -266.009
Base-Backbone interact. energy: -0.136
local terms energy: -274.294766
where:
bonds (distance) C4'-P energy: -49.451
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -61.815
flat angles P-C4'-P energy: -38.222
tors. eta vs tors. theta energy: -77.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -819.522967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.522967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.522967 (E_RNA)
where:
Base-Base interactions energy: -563.843
where: short stacking energy: -230.574
Base-Backbone interact. energy: -0.524
local terms energy: -255.155879
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -59.488
flat angles C4'-P-C4' energy: -54.853
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -63.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -822.751174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.751174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.751174 (E_RNA)
where:
Base-Base interactions energy: -579.306
where: short stacking energy: -231.750
Base-Backbone interact. energy: -0.412
local terms energy: -243.032735
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -45.868
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -37.940
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: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -724.027214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.027214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.027214 (E_RNA)
where:
Base-Base interactions energy: -504.760
where: short stacking energy: -216.217
Base-Backbone interact. energy: -1.057
local terms energy: -218.209414
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -58.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -663.541759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.541759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.541759 (E_RNA)
where:
Base-Base interactions energy: -440.977
where: short stacking energy: -180.973
Base-Backbone interact. energy: -0.164
local terms energy: -222.399870
where:
bonds (distance) C4'-P energy: -48.744
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -47.797
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -455.234762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.234762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.234762 (E_RNA)
where:
Base-Base interactions energy: -281.014
where: short stacking energy: -120.387
Base-Backbone interact. energy: 2.184
local terms energy: -176.405509
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -49.745
flat angles C4'-P-C4' energy: -42.718
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -260.693194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.693194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.693194 (E_RNA)
where:
Base-Base interactions energy: -122.551
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.973
local terms energy: -137.169174
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -41.846
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -947.909038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.909038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.909038 (E_RNA)
where:
Base-Base interactions energy: -660.858
where: short stacking energy: -287.646
Base-Backbone interact. energy: -0.329
local terms energy: -286.722237
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -53.812
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -46.194
tors. eta vs tors. theta energy: -76.756
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: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -925.159489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.159489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.159489 (E_RNA)
where:
Base-Base interactions energy: -626.350
where: short stacking energy: -274.190
Base-Backbone interact. energy: -0.877
local terms energy: -297.932662
where:
bonds (distance) C4'-P energy: -53.075
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -63.762
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -82.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -861.513758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.513758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.513758 (E_RNA)
where:
Base-Base interactions energy: -582.362
where: short stacking energy: -259.184
Base-Backbone interact. energy: 0.811
local terms energy: -279.962629
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -80.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -849.109253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.109253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.109253 (E_RNA)
where:
Base-Base interactions energy: -584.822
where: short stacking energy: -253.342
Base-Backbone interact. energy: -0.614
local terms energy: -263.673910
where:
bonds (distance) C4'-P energy: -43.909
bonds (distance) P-C4' energy: -55.554
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -68.875
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: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -836.104310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.104310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.104310 (E_RNA)
where:
Base-Base interactions energy: -577.715
where: short stacking energy: -239.898
Base-Backbone interact. energy: -0.703
local terms energy: -257.686456
where:
bonds (distance) C4'-P energy: -47.556
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -58.981
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -67.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -822.037165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.037165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.037165 (E_RNA)
where:
Base-Base interactions energy: -572.834
where: short stacking energy: -246.397
Base-Backbone interact. energy: 0.935
local terms energy: -250.138088
where:
bonds (distance) C4'-P energy: -51.349
bonds (distance) P-C4' energy: -39.422
flat angles C4'-P-C4' energy: -52.940
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -71.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -743.433149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.433149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.433149 (E_RNA)
where:
Base-Base interactions energy: -486.049
where: short stacking energy: -201.568
Base-Backbone interact. energy: -1.134
local terms energy: -256.249952
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -50.235
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -57.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -647.080116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.080116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.080116 (E_RNA)
where:
Base-Base interactions energy: -429.723
where: short stacking energy: -166.014
Base-Backbone interact. energy: -2.253
local terms energy: -215.103262
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -50.588
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -36.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -417.616162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.616162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.616162 (E_RNA)
where:
Base-Base interactions energy: -230.335
where: short stacking energy: -123.910
Base-Backbone interact. energy: -0.829
local terms energy: -186.451918
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -48.841
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -223.373026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.373026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.373026 (E_RNA)
where:
Base-Base interactions energy: -67.625
where: short stacking energy: -54.944
Base-Backbone interact. energy: 1.199
local terms energy: -156.947105
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -24.108
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: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -947.420236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.420236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.420236 (E_RNA)
where:
Base-Base interactions energy: -653.116
where: short stacking energy: -270.764
Base-Backbone interact. energy: 1.080
local terms energy: -295.383808
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -56.818
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -82.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -953.778350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.778350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.778350 (E_RNA)
where:
Base-Base interactions energy: -650.084
where: short stacking energy: -285.640
Base-Backbone interact. energy: -0.425
local terms energy: -303.269124
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -63.068
flat angles P-C4'-P energy: -47.987
tors. eta vs tors. theta energy: -88.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -877.813596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.813596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.813596 (E_RNA)
where:
Base-Base interactions energy: -601.052
where: short stacking energy: -257.202
Base-Backbone interact. energy: 0.462
local terms energy: -277.223538
where:
bonds (distance) C4'-P energy: -55.594
bonds (distance) P-C4' energy: -52.819
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -73.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -862.860327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.860327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.860327 (E_RNA)
where:
Base-Base interactions energy: -603.049
where: short stacking energy: -245.884
Base-Backbone interact. energy: -0.627
local terms energy: -259.183795
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -52.241
flat angles P-C4'-P energy: -42.831
tors. eta vs tors. theta energy: -67.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -837.093930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.093930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.093930 (E_RNA)
where:
Base-Base interactions energy: -578.099
where: short stacking energy: -248.984
Base-Backbone interact. energy: 1.307
local terms energy: -260.301098
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -48.217
flat angles C4'-P-C4' energy: -53.388
flat angles P-C4'-P energy: -37.960
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -825.619667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.619667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.619667 (E_RNA)
where:
Base-Base interactions energy: -560.929
where: short stacking energy: -236.040
Base-Backbone interact. energy: -0.992
local terms energy: -263.698237
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -54.757
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -71.410
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: 237
Temperature: 1.200000
Total energy: -752.206369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.206369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.206369 (E_RNA)
where:
Base-Base interactions energy: -533.386
where: short stacking energy: -208.693
Base-Backbone interact. energy: 6.011
local terms energy: -224.831615
where:
bonds (distance) C4'-P energy: -56.221
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -50.092
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -49.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -686.833337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.833337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.833337 (E_RNA)
where:
Base-Base interactions energy: -465.304
where: short stacking energy: -177.519
Base-Backbone interact. energy: -0.730
local terms energy: -220.799816
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -49.657
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -50.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -406.601540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.601540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.601540 (E_RNA)
where:
Base-Base interactions energy: -249.540
where: short stacking energy: -105.749
Base-Backbone interact. energy: -0.871
local terms energy: -156.189599
where:
bonds (distance) C4'-P energy: -49.911
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -42.753
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -0.511
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: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -227.978765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.978765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.978765 (E_RNA)
where:
Base-Base interactions energy: -81.183
where: short stacking energy: -40.901
Base-Backbone interact. energy: -2.633
local terms energy: -144.162096
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: 12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -950.999396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.999396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.999396 (E_RNA)
where:
Base-Base interactions energy: -663.172
where: short stacking energy: -282.522
Base-Backbone interact. energy: -0.720
local terms energy: -287.107737
where:
bonds (distance) C4'-P energy: -47.425
bonds (distance) P-C4' energy: -49.266
flat angles C4'-P-C4' energy: -65.226
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -932.670231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.670231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.670231 (E_RNA)
where:
Base-Base interactions energy: -644.418
where: short stacking energy: -275.099
Base-Backbone interact. energy: -1.284
local terms energy: -286.969049
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -55.920
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -38.327
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: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -852.992337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.992337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.992337 (E_RNA)
where:
Base-Base interactions energy: -583.643
where: short stacking energy: -254.104
Base-Backbone interact. energy: 0.163
local terms energy: -269.513069
where:
bonds (distance) C4'-P energy: -46.303
bonds (distance) P-C4' energy: -59.384
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -67.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -836.027896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.027896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.027896 (E_RNA)
where:
Base-Base interactions energy: -577.752
where: short stacking energy: -263.446
Base-Backbone interact. energy: -1.244
local terms energy: -257.032573
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -53.778
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: -71.307
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: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -848.231238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.231238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.231238 (E_RNA)
where:
Base-Base interactions energy: -599.830
where: short stacking energy: -256.002
Base-Backbone interact. energy: -0.646
local terms energy: -247.755163
where:
bonds (distance) C4'-P energy: -46.061
bonds (distance) P-C4' energy: -45.154
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -66.906
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: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -819.363992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.363992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.363992 (E_RNA)
where:
Base-Base interactions energy: -544.481
where: short stacking energy: -225.621
Base-Backbone interact. energy: -1.162
local terms energy: -273.720711
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -54.451
flat angles C4'-P-C4' energy: -52.233
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -73.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -736.342045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.342045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.342045 (E_RNA)
where:
Base-Base interactions energy: -493.905
where: short stacking energy: -220.193
Base-Backbone interact. energy: 0.450
local terms energy: -242.887306
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -52.882
flat angles P-C4'-P energy: -39.826
tors. eta vs tors. theta energy: -63.070
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: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -693.019573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.019573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.019573 (E_RNA)
where:
Base-Base interactions energy: -465.677
where: short stacking energy: -189.325
Base-Backbone interact. energy: -0.168
local terms energy: -227.173876
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -55.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -473.489366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.489366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.489366 (E_RNA)
where:
Base-Base interactions energy: -276.464
where: short stacking energy: -130.831
Base-Backbone interact. energy: -2.341
local terms energy: -194.685185
where:
bonds (distance) C4'-P energy: -45.203
bonds (distance) P-C4' energy: -43.071
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -35.357
tors. eta vs tors. theta energy: -18.792
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: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -237.191425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.191425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.191425 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -76.381
Base-Backbone interact. energy: 1.825
local terms energy: -128.425208
where:
bonds (distance) C4'-P energy: -42.646
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -43.318
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: 16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -955.953249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.953249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.953249 (E_RNA)
where:
Base-Base interactions energy: -664.422
where: short stacking energy: -276.084
Base-Backbone interact. energy: -0.700
local terms energy: -290.830404
where:
bonds (distance) C4'-P energy: -54.505
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -60.630
flat angles P-C4'-P energy: -42.064
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -925.514995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.514995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.514995 (E_RNA)
where:
Base-Base interactions energy: -646.806
where: short stacking energy: -271.158
Base-Backbone interact. energy: -0.579
local terms energy: -278.130189
where:
bonds (distance) C4'-P energy: -41.352
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -46.487
tors. eta vs tors. theta energy: -83.524
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: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -862.337545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.337545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.337545 (E_RNA)
where:
Base-Base interactions energy: -606.748
where: short stacking energy: -239.014
Base-Backbone interact. energy: 1.912
local terms energy: -257.500917
where:
bonds (distance) C4'-P energy: -36.681
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -54.941
flat angles P-C4'-P energy: -39.454
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: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -830.313849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.313849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.313849 (E_RNA)
where:
Base-Base interactions energy: -591.534
where: short stacking energy: -236.533
Base-Backbone interact. energy: -1.855
local terms energy: -236.924933
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -48.777
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -66.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -825.016539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.016539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.016539 (E_RNA)
where:
Base-Base interactions energy: -572.508
where: short stacking energy: -244.591
Base-Backbone interact. energy: -0.917
local terms energy: -251.591361
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -34.340
flat angles C4'-P-C4' energy: -52.391
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -71.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -804.261745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.261745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.261745 (E_RNA)
where:
Base-Base interactions energy: -521.912
where: short stacking energy: -232.357
Base-Backbone interact. energy: -0.577
local terms energy: -281.772968
where:
bonds (distance) C4'-P energy: -57.789
bonds (distance) P-C4' energy: -51.600
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -72.929
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: 239
Temperature: 1.200000
Total energy: -763.354865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.354865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.354865 (E_RNA)
where:
Base-Base interactions energy: -507.785
where: short stacking energy: -221.456
Base-Backbone interact. energy: 0.266
local terms energy: -255.835433
where:
bonds (distance) C4'-P energy: -46.566
bonds (distance) P-C4' energy: -58.517
flat angles C4'-P-C4' energy: -55.060
flat angles P-C4'-P energy: -29.567
tors. eta vs tors. theta energy: -66.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -683.776615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.776615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.776615 (E_RNA)
where:
Base-Base interactions energy: -466.433
where: short stacking energy: -197.038
Base-Backbone interact. energy: -0.191
local terms energy: -217.153232
where:
bonds (distance) C4'-P energy: -45.288
bonds (distance) P-C4' energy: -49.573
flat angles C4'-P-C4' energy: -47.247
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -55.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -484.748595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.748595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.748595 (E_RNA)
where:
Base-Base interactions energy: -297.735
where: short stacking energy: -132.767
Base-Backbone interact. energy: -0.355
local terms energy: -186.658849
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -43.427
flat angles C4'-P-C4' energy: -49.762
flat angles P-C4'-P energy: -32.793
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -230.008713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.008713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.008713 (E_RNA)
where:
Base-Base interactions energy: -82.620
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.425
local terms energy: -146.963480
where:
bonds (distance) C4'-P energy: -42.903
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -35.899
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: 2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -943.605401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.605401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.605401 (E_RNA)
where:
Base-Base interactions energy: -646.542
where: short stacking energy: -288.013
Base-Backbone interact. energy: -2.816
local terms energy: -294.247442
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -58.329
flat angles P-C4'-P energy: -45.606
tors. eta vs tors. theta energy: -85.435
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: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -945.753134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.753134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.753134 (E_RNA)
where:
Base-Base interactions energy: -658.378
where: short stacking energy: -281.607
Base-Backbone interact. energy: -0.679
local terms energy: -286.696621
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -57.177
flat angles C4'-P-C4' energy: -59.749
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -81.200
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: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -856.981252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.981252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.981252 (E_RNA)
where:
Base-Base interactions energy: -589.115
where: short stacking energy: -243.984
Base-Backbone interact. energy: -0.539
local terms energy: -267.326527
where:
bonds (distance) C4'-P energy: -52.255
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -55.082
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -70.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -869.644702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.644702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.644702 (E_RNA)
where:
Base-Base interactions energy: -593.735
where: short stacking energy: -262.372
Base-Backbone interact. energy: -1.466
local terms energy: -274.443698
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: -80.084
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: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -789.094054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.094054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.094054 (E_RNA)
where:
Base-Base interactions energy: -546.124
where: short stacking energy: -241.273
Base-Backbone interact. energy: -1.371
local terms energy: -241.599392
where:
bonds (distance) C4'-P energy: -40.087
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -58.276
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -70.744
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: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -783.559923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.559923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.559923 (E_RNA)
where:
Base-Base interactions energy: -534.525
where: short stacking energy: -228.661
Base-Backbone interact. energy: -0.642
local terms energy: -248.392207
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -48.997
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -64.394
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: 240
Temperature: 1.200000
Total energy: -769.786112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.786112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.786112 (E_RNA)
where:
Base-Base interactions energy: -521.926
where: short stacking energy: -235.351
Base-Backbone interact. energy: -0.910
local terms energy: -246.949852
where:
bonds (distance) C4'-P energy: -45.150
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -653.760684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.760684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.760684 (E_RNA)
where:
Base-Base interactions energy: -424.714
where: short stacking energy: -175.943
Base-Backbone interact. energy: -0.452
local terms energy: -228.594212
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -57.373
flat angles C4'-P-C4' energy: -42.220
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: -36.889
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: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -466.905777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.905777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.905777 (E_RNA)
where:
Base-Base interactions energy: -275.014
where: short stacking energy: -133.991
Base-Backbone interact. energy: -0.400
local terms energy: -191.492320
where:
bonds (distance) C4'-P energy: -40.781
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -46.971
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -217.438207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.438207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.438207 (E_RNA)
where:
Base-Base interactions energy: -68.400
where: short stacking energy: -52.082
Base-Backbone interact. energy: 0.266
local terms energy: -149.304306
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -41.739
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: 10.657
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: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -936.239556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.239556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.239556 (E_RNA)
where:
Base-Base interactions energy: -646.256
where: short stacking energy: -280.014
Base-Backbone interact. energy: 1.096
local terms energy: -291.078682
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -67.148
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -86.689
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: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -943.260739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.260739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.260739 (E_RNA)
where:
Base-Base interactions energy: -642.970
where: short stacking energy: -283.245
Base-Backbone interact. energy: -1.301
local terms energy: -298.989431
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -60.011
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -90.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -895.790951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.790951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.790951 (E_RNA)
where:
Base-Base interactions energy: -599.432
where: short stacking energy: -259.089
Base-Backbone interact. energy: 0.314
local terms energy: -296.672358
where:
bonds (distance) C4'-P energy: -53.612
bonds (distance) P-C4' energy: -50.750
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -47.073
tors. eta vs tors. theta energy: -83.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -843.481257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.481257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.481257 (E_RNA)
where:
Base-Base interactions energy: -578.029
where: short stacking energy: -261.921
Base-Backbone interact. energy: -0.847
local terms energy: -264.605656
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -48.482
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -72.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -799.212034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.212034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.212034 (E_RNA)
where:
Base-Base interactions energy: -535.107
where: short stacking energy: -226.697
Base-Backbone interact. energy: -0.046
local terms energy: -264.058642
where:
bonds (distance) C4'-P energy: -54.242
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -69.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -803.189373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.189373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.189373 (E_RNA)
where:
Base-Base interactions energy: -551.054
where: short stacking energy: -237.105
Base-Backbone interact. energy: -1.249
local terms energy: -250.886782
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -49.493
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -36.646
tors. eta vs tors. theta energy: -65.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -720.094301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.094301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.094301 (E_RNA)
where:
Base-Base interactions energy: -501.048
where: short stacking energy: -212.517
Base-Backbone interact. energy: -1.135
local terms energy: -217.911640
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -41.975
flat angles C4'-P-C4' energy: -44.631
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -665.295470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.295470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.295470 (E_RNA)
where:
Base-Base interactions energy: -445.924
where: short stacking energy: -183.921
Base-Backbone interact. energy: -1.021
local terms energy: -218.350461
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -46.837
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -46.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -503.410255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.410255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.410255 (E_RNA)
where:
Base-Base interactions energy: -310.501
where: short stacking energy: -142.734
Base-Backbone interact. energy: 0.157
local terms energy: -193.065590
where:
bonds (distance) C4'-P energy: -35.307
bonds (distance) P-C4' energy: -54.659
flat angles C4'-P-C4' energy: -40.729
flat angles P-C4'-P energy: -25.178
tors. eta vs tors. theta energy: -37.193
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: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -233.369870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.369870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.369870 (E_RNA)
where:
Base-Base interactions energy: -96.527
where: short stacking energy: -59.639
Base-Backbone interact. energy: 2.189
local terms energy: -139.031319
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: 19.263
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: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -973.165971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.165971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.165971 (E_RNA)
where:
Base-Base interactions energy: -670.588
where: short stacking energy: -299.420
Base-Backbone interact. energy: -1.294
local terms energy: -301.283582
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -92.789
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: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -913.285602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.285602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.285602 (E_RNA)
where:
Base-Base interactions energy: -626.318
where: short stacking energy: -282.146
Base-Backbone interact. energy: -0.326
local terms energy: -286.642125
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -55.027
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -87.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -878.702427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.702427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.702427 (E_RNA)
where:
Base-Base interactions energy: -608.982
where: short stacking energy: -265.536
Base-Backbone interact. energy: -0.725
local terms energy: -268.994519
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -47.668
flat angles C4'-P-C4' energy: -58.252
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: -76.111
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: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -831.177672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.177672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.177672 (E_RNA)
where:
Base-Base interactions energy: -570.717
where: short stacking energy: -248.400
Base-Backbone interact. energy: 3.167
local terms energy: -263.626953
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -56.698
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: -67.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -804.002816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.002816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.002816 (E_RNA)
where:
Base-Base interactions energy: -545.129
where: short stacking energy: -247.047
Base-Backbone interact. energy: -1.818
local terms energy: -257.055753
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -50.785
flat angles C4'-P-C4' energy: -54.144
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -62.936
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: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -796.585998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.585998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.585998 (E_RNA)
where:
Base-Base interactions energy: -552.093
where: short stacking energy: -226.336
Base-Backbone interact. energy: -1.087
local terms energy: -243.406508
where:
bonds (distance) C4'-P energy: -44.924
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -53.363
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -63.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -741.489687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.489687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.489687 (E_RNA)
where:
Base-Base interactions energy: -506.526
where: short stacking energy: -214.326
Base-Backbone interact. energy: 1.329
local terms energy: -236.292363
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -54.703
flat angles C4'-P-C4' energy: -48.395
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -62.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -627.190945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.190945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.190945 (E_RNA)
where:
Base-Base interactions energy: -421.582
where: short stacking energy: -178.800
Base-Backbone interact. energy: -0.316
local terms energy: -205.292528
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -37.186
flat angles C4'-P-C4' energy: -53.085
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -42.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -472.921120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.921120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.921120 (E_RNA)
where:
Base-Base interactions energy: -268.406
where: short stacking energy: -128.807
Base-Backbone interact. energy: -0.686
local terms energy: -203.828612
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -23.820
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: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -244.536398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.536398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.536398 (E_RNA)
where:
Base-Base interactions energy: -116.819
where: short stacking energy: -81.241
Base-Backbone interact. energy: 1.658
local terms energy: -129.375611
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -44.852
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: 6.082
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: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -955.877211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.877211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.877211 (E_RNA)
where:
Base-Base interactions energy: -647.686
where: short stacking energy: -282.156
Base-Backbone interact. energy: -1.035
local terms energy: -307.155721
where:
bonds (distance) C4'-P energy: -52.967
bonds (distance) P-C4' energy: -58.481
flat angles C4'-P-C4' energy: -62.618
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -88.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -891.068022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.068022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.068022 (E_RNA)
where:
Base-Base interactions energy: -608.144
where: short stacking energy: -257.486
Base-Backbone interact. energy: -0.635
local terms energy: -282.288576
where:
bonds (distance) C4'-P energy: -52.619
bonds (distance) P-C4' energy: -49.486
flat angles C4'-P-C4' energy: -59.201
flat angles P-C4'-P energy: -39.582
tors. eta vs tors. theta energy: -81.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -893.805764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.805764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.805764 (E_RNA)
where:
Base-Base interactions energy: -611.794
where: short stacking energy: -269.249
Base-Backbone interact. energy: -0.356
local terms energy: -281.656527
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -81.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -837.696330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.696330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.696330 (E_RNA)
where:
Base-Base interactions energy: -561.672
where: short stacking energy: -258.544
Base-Backbone interact. energy: -1.259
local terms energy: -274.765079
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -63.431
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: -73.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -807.290499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.290499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.290499 (E_RNA)
where:
Base-Base interactions energy: -550.118
where: short stacking energy: -231.711
Base-Backbone interact. energy: 1.426
local terms energy: -258.598535
where:
bonds (distance) C4'-P energy: -43.686
bonds (distance) P-C4' energy: -47.439
flat angles C4'-P-C4' energy: -59.740
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -69.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -775.912309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.912309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.912309 (E_RNA)
where:
Base-Base interactions energy: -534.128
where: short stacking energy: -240.775
Base-Backbone interact. energy: -1.322
local terms energy: -240.462463
where:
bonds (distance) C4'-P energy: -45.202
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -53.153
flat angles P-C4'-P energy: -34.354
tors. eta vs tors. theta energy: -60.447
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: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -771.348887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.348887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.348887 (E_RNA)
where:
Base-Base interactions energy: -550.831
where: short stacking energy: -230.279
Base-Backbone interact. energy: -0.168
local terms energy: -220.349895
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -38.980
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -66.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -666.712859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.712859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.712859 (E_RNA)
where:
Base-Base interactions energy: -444.413
where: short stacking energy: -188.259
Base-Backbone interact. energy: -1.228
local terms energy: -221.071790
where:
bonds (distance) C4'-P energy: -49.046
bonds (distance) P-C4' energy: -44.840
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -40.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -417.226415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.226415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.226415 (E_RNA)
where:
Base-Base interactions energy: -254.080
where: short stacking energy: -119.387
Base-Backbone interact. energy: 0.902
local terms energy: -164.048654
where:
bonds (distance) C4'-P energy: -39.529
bonds (distance) P-C4' energy: -46.464
flat angles C4'-P-C4' energy: -35.153
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -18.317
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: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -224.922390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.922390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.922390 (E_RNA)
where:
Base-Base interactions energy: -84.688
where: short stacking energy: -65.635
Base-Backbone interact. energy: 3.600
local terms energy: -143.834370
where:
bonds (distance) C4'-P energy: -56.258
bonds (distance) P-C4' energy: -48.925
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: 5.763
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: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -954.014406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.014406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.014406 (E_RNA)
where:
Base-Base interactions energy: -662.821
where: short stacking energy: -302.564
Base-Backbone interact. energy: -1.163
local terms energy: -290.030091
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -55.290
flat angles C4'-P-C4' energy: -62.605
flat angles P-C4'-P energy: -33.555
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: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -884.113443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.113443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.113443 (E_RNA)
where:
Base-Base interactions energy: -597.221
where: short stacking energy: -273.199
Base-Backbone interact. energy: 0.571
local terms energy: -287.462895
where:
bonds (distance) C4'-P energy: -60.454
bonds (distance) P-C4' energy: -50.475
flat angles C4'-P-C4' energy: -53.664
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -79.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -906.108163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.108163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.108163 (E_RNA)
where:
Base-Base interactions energy: -623.420
where: short stacking energy: -268.418
Base-Backbone interact. energy: -0.823
local terms energy: -281.865295
where:
bonds (distance) C4'-P energy: -43.873
bonds (distance) P-C4' energy: -56.381
flat angles C4'-P-C4' energy: -55.146
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -83.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -836.612939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.612939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.612939 (E_RNA)
where:
Base-Base interactions energy: -565.340
where: short stacking energy: -249.631
Base-Backbone interact. energy: 1.218
local terms energy: -272.490938
where:
bonds (distance) C4'-P energy: -45.507
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -75.471
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -781.012995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.012995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.012995 (E_RNA)
where:
Base-Base interactions energy: -538.651
where: short stacking energy: -228.610
Base-Backbone interact. energy: -0.497
local terms energy: -241.864963
where:
bonds (distance) C4'-P energy: -40.539
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -55.937
flat angles P-C4'-P energy: -44.984
tors. eta vs tors. theta energy: -62.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -797.834604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.834604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.834604 (E_RNA)
where:
Base-Base interactions energy: -564.990
where: short stacking energy: -244.029
Base-Backbone interact. energy: -0.388
local terms energy: -232.456628
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -65.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -736.644926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.644926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.644926 (E_RNA)
where:
Base-Base interactions energy: -489.679
where: short stacking energy: -196.235
Base-Backbone interact. energy: -1.463
local terms energy: -245.503404
where:
bonds (distance) C4'-P energy: -46.999
bonds (distance) P-C4' energy: -49.123
flat angles C4'-P-C4' energy: -57.070
flat angles P-C4'-P energy: -32.743
tors. eta vs tors. theta energy: -59.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -682.579737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.579737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.579737 (E_RNA)
where:
Base-Base interactions energy: -455.686
where: short stacking energy: -186.101
Base-Backbone interact. energy: -0.333
local terms energy: -226.560328
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -42.551
flat angles C4'-P-C4' energy: -53.854
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -49.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -386.883742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.883742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.883742 (E_RNA)
where:
Base-Base interactions energy: -188.596
where: short stacking energy: -87.171
Base-Backbone interact. energy: -2.368
local terms energy: -195.918851
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -46.500
flat angles C4'-P-C4' energy: -46.007
flat angles P-C4'-P energy: -31.427
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -239.521765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.521765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.521765 (E_RNA)
where:
Base-Base interactions energy: -98.478
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.270
local terms energy: -140.773306
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -50.599
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -16.708
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: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -952.300859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.300859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.300859 (E_RNA)
where:
Base-Base interactions energy: -652.699
where: short stacking energy: -294.284
Base-Backbone interact. energy: -0.473
local terms energy: -299.128893
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -55.585
flat angles C4'-P-C4' energy: -61.585
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -89.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -907.551185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.551185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.551185 (E_RNA)
where:
Base-Base interactions energy: -617.209
where: short stacking energy: -270.513
Base-Backbone interact. energy: 1.408
local terms energy: -291.750159
where:
bonds (distance) C4'-P energy: -57.493
bonds (distance) P-C4' energy: -53.557
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -82.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -925.859240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.859240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.859240 (E_RNA)
where:
Base-Base interactions energy: -634.939
where: short stacking energy: -271.645
Base-Backbone interact. energy: -0.397
local terms energy: -290.522627
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -84.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -858.409328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.409328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.409328 (E_RNA)
where:
Base-Base interactions energy: -588.708
where: short stacking energy: -266.882
Base-Backbone interact. energy: 3.499
local terms energy: -273.200734
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -54.483
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -72.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -769.987563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.987563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.987563 (E_RNA)
where:
Base-Base interactions energy: -525.730
where: short stacking energy: -236.389
Base-Backbone interact. energy: -1.005
local terms energy: -243.252479
where:
bonds (distance) C4'-P energy: -49.833
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -47.525
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -801.962762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.962762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.962762 (E_RNA)
where:
Base-Base interactions energy: -553.836
where: short stacking energy: -246.859
Base-Backbone interact. energy: -0.153
local terms energy: -247.972950
where:
bonds (distance) C4'-P energy: -47.178
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -66.352
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: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -745.495637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.495637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.495637 (E_RNA)
where:
Base-Base interactions energy: -531.206
where: short stacking energy: -218.224
Base-Backbone interact. energy: 2.904
local terms energy: -217.193613
where:
bonds (distance) C4'-P energy: -36.482
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -57.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -693.702372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.702372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.702372 (E_RNA)
where:
Base-Base interactions energy: -465.339
where: short stacking energy: -201.196
Base-Backbone interact. energy: -0.274
local terms energy: -228.089447
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -47.669
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -53.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -390.300810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.300810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.300810 (E_RNA)
where:
Base-Base interactions energy: -246.138
where: short stacking energy: -109.029
Base-Backbone interact. energy: -1.293
local terms energy: -142.869768
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -40.084
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -10.958
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: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -238.211660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.211660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.211660 (E_RNA)
where:
Base-Base interactions energy: -77.203
where: short stacking energy: -73.068
Base-Backbone interact. energy: 0.957
local terms energy: -161.966499
where:
bonds (distance) C4'-P energy: -43.570
bonds (distance) P-C4' energy: -41.623
flat angles C4'-P-C4' energy: -48.513
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -952.179434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.179434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.179434 (E_RNA)
where:
Base-Base interactions energy: -654.384
where: short stacking energy: -295.167
Base-Backbone interact. energy: -1.080
local terms energy: -296.715770
where:
bonds (distance) C4'-P energy: -48.479
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -61.676
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: -95.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -901.612292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.612292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.612292 (E_RNA)
where:
Base-Base interactions energy: -621.553
where: short stacking energy: -249.121
Base-Backbone interact. energy: -0.881
local terms energy: -279.177818
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -55.391
flat angles C4'-P-C4' energy: -58.232
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -77.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -923.378735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.378735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.378735 (E_RNA)
where:
Base-Base interactions energy: -646.841
where: short stacking energy: -270.364
Base-Backbone interact. energy: -0.889
local terms energy: -275.648307
where:
bonds (distance) C4'-P energy: -41.982
bonds (distance) P-C4' energy: -54.983
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -88.082
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -833.240698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.240698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.240698 (E_RNA)
where:
Base-Base interactions energy: -590.420
where: short stacking energy: -250.682
Base-Backbone interact. energy: -1.496
local terms energy: -241.323933
where:
bonds (distance) C4'-P energy: -41.841
bonds (distance) P-C4' energy: -45.763
flat angles C4'-P-C4' energy: -59.537
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -65.709
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: 246
Temperature: 1.100000
Total energy: -818.049018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.049018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.049018 (E_RNA)
where:
Base-Base interactions energy: -556.930
where: short stacking energy: -233.940
Base-Backbone interact. energy: -1.761
local terms energy: -259.357417
where:
bonds (distance) C4'-P energy: -50.347
bonds (distance) P-C4' energy: -48.046
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -37.930
tors. eta vs tors. theta energy: -64.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -748.817037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.817037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.817037 (E_RNA)
where:
Base-Base interactions energy: -522.156
where: short stacking energy: -223.456
Base-Backbone interact. energy: -0.940
local terms energy: -225.721384
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -38.425
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -65.062
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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -698.214272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.214272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.214272 (E_RNA)
where:
Base-Base interactions energy: -463.768
where: short stacking energy: -192.477
Base-Backbone interact. energy: -1.238
local terms energy: -233.209019
where:
bonds (distance) C4'-P energy: -44.774
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -51.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -732.813441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.813441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.813441 (E_RNA)
where:
Base-Base interactions energy: -490.637
where: short stacking energy: -212.869
Base-Backbone interact. energy: -1.335
local terms energy: -240.841746
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -51.764
flat angles P-C4'-P energy: -38.204
tors. eta vs tors. theta energy: -58.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -389.554315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.554315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.554315 (E_RNA)
where:
Base-Base interactions energy: -232.286
where: short stacking energy: -99.369
Base-Backbone interact. energy: 0.004
local terms energy: -157.272513
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -35.438
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -235.345447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.345447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.345447 (E_RNA)
where:
Base-Base interactions energy: -79.453
where: short stacking energy: -72.155
Base-Backbone interact. energy: -2.081
local terms energy: -153.812066
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -54.257
flat angles C4'-P-C4' energy: -42.409
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: 2.729
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: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -951.786719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.786719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.786719 (E_RNA)
where:
Base-Base interactions energy: -656.537
where: short stacking energy: -267.263
Base-Backbone interact. energy: -1.680
local terms energy: -293.569932
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -61.582
flat angles P-C4'-P energy: -42.249
tors. eta vs tors. theta energy: -83.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -943.901521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.901521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.901521 (E_RNA)
where:
Base-Base interactions energy: -651.257
where: short stacking energy: -274.959
Base-Backbone interact. energy: -0.588
local terms energy: -292.056785
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -64.625
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -92.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -896.458566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.458566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.458566 (E_RNA)
where:
Base-Base interactions energy: -623.946
where: short stacking energy: -252.645
Base-Backbone interact. energy: -0.925
local terms energy: -271.587953
where:
bonds (distance) C4'-P energy: -46.478
bonds (distance) P-C4' energy: -51.077
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -78.730
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: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -832.433872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.433872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.433872 (E_RNA)
where:
Base-Base interactions energy: -568.177
where: short stacking energy: -253.542
Base-Backbone interact. energy: -0.178
local terms energy: -264.078998
where:
bonds (distance) C4'-P energy: -41.854
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -59.373
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -70.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -814.073987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.073987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.073987 (E_RNA)
where:
Base-Base interactions energy: -544.445
where: short stacking energy: -221.784
Base-Backbone interact. energy: 0.388
local terms energy: -270.017032
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -55.697
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -66.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -746.265298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.265298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.265298 (E_RNA)
where:
Base-Base interactions energy: -489.276
where: short stacking energy: -201.480
Base-Backbone interact. energy: -0.802
local terms energy: -256.187135
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -50.160
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -62.569
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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -704.175300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.175300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.175300 (E_RNA)
where:
Base-Base interactions energy: -464.376
where: short stacking energy: -188.353
Base-Backbone interact. energy: 0.208
local terms energy: -240.007101
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -50.977
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -32.027
tors. eta vs tors. theta energy: -58.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -699.878991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.878991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.878991 (E_RNA)
where:
Base-Base interactions energy: -465.081
where: short stacking energy: -196.170
Base-Backbone interact. energy: -1.815
local terms energy: -232.983389
where:
bonds (distance) C4'-P energy: -43.255
bonds (distance) P-C4' energy: -47.493
flat angles C4'-P-C4' energy: -48.611
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -59.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -462.229162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.229162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.229162 (E_RNA)
where:
Base-Base interactions energy: -284.333
where: short stacking energy: -151.039
Base-Backbone interact. energy: -0.137
local terms energy: -177.759267
where:
bonds (distance) C4'-P energy: -34.544
bonds (distance) P-C4' energy: -50.208
flat angles C4'-P-C4' energy: -49.286
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -231.146555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.146555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.146555 (E_RNA)
where:
Base-Base interactions energy: -85.941
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.377
local terms energy: -144.828077
where:
bonds (distance) C4'-P energy: -42.376
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: 2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -945.839876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.839876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.839876 (E_RNA)
where:
Base-Base interactions energy: -653.224
where: short stacking energy: -295.739
Base-Backbone interact. energy: -0.692
local terms energy: -291.923767
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -61.926
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -90.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -937.354986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.354986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.354986 (E_RNA)
where:
Base-Base interactions energy: -665.763
where: short stacking energy: -276.497
Base-Backbone interact. energy: 0.389
local terms energy: -271.981133
where:
bonds (distance) C4'-P energy: -50.090
bonds (distance) P-C4' energy: -49.793
flat angles C4'-P-C4' energy: -55.655
flat angles P-C4'-P energy: -37.724
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -897.178600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.178600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.178600 (E_RNA)
where:
Base-Base interactions energy: -621.884
where: short stacking energy: -242.472
Base-Backbone interact. energy: 1.287
local terms energy: -276.581336
where:
bonds (distance) C4'-P energy: -51.370
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -46.051
tors. eta vs tors. theta energy: -71.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -832.878508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.878508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.878508 (E_RNA)
where:
Base-Base interactions energy: -571.171
where: short stacking energy: -240.409
Base-Backbone interact. energy: -0.604
local terms energy: -261.103858
where:
bonds (distance) C4'-P energy: -53.081
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -50.373
flat angles P-C4'-P energy: -37.249
tors. eta vs tors. theta energy: -71.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -780.215875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.215875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.215875 (E_RNA)
where:
Base-Base interactions energy: -521.487
where: short stacking energy: -210.156
Base-Backbone interact. energy: -0.225
local terms energy: -258.504168
where:
bonds (distance) C4'-P energy: -50.137
bonds (distance) P-C4' energy: -49.494
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -62.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -808.520836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.520836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.520836 (E_RNA)
where:
Base-Base interactions energy: -545.636
where: short stacking energy: -230.387
Base-Backbone interact. energy: -0.002
local terms energy: -262.882597
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -51.831
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -60.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -725.543638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.543638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.543638 (E_RNA)
where:
Base-Base interactions energy: -491.172
where: short stacking energy: -210.133
Base-Backbone interact. energy: -0.641
local terms energy: -233.731004
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -46.546
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -58.021
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: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -682.142689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.142689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.142689 (E_RNA)
where:
Base-Base interactions energy: -457.355
where: short stacking energy: -188.167
Base-Backbone interact. energy: 0.192
local terms energy: -224.979956
where:
bonds (distance) C4'-P energy: -56.614
bonds (distance) P-C4' energy: -47.515
flat angles C4'-P-C4' energy: -54.223
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -52.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -435.316587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.316587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.316587 (E_RNA)
where:
Base-Base interactions energy: -252.447
where: short stacking energy: -120.798
Base-Backbone interact. energy: -0.082
local terms energy: -182.787380
where:
bonds (distance) C4'-P energy: -47.699
bonds (distance) P-C4' energy: -49.997
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -19.430
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: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -219.635263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.635263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.635263 (E_RNA)
where:
Base-Base interactions energy: -78.493
where: short stacking energy: -74.383
Base-Backbone interact. energy: -0.236
local terms energy: -140.906481
where:
bonds (distance) C4'-P energy: -38.649
bonds (distance) P-C4' energy: -40.070
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -25.582
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -965.228365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.228365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.228365 (E_RNA)
where:
Base-Base interactions energy: -672.762
where: short stacking energy: -289.436
Base-Backbone interact. energy: -1.094
local terms energy: -291.372301
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -64.355
flat angles P-C4'-P energy: -44.683
tors. eta vs tors. theta energy: -88.067
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: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -910.474719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.474719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.474719 (E_RNA)
where:
Base-Base interactions energy: -627.733
where: short stacking energy: -254.186
Base-Backbone interact. energy: -0.722
local terms energy: -282.019659
where:
bonds (distance) C4'-P energy: -51.105
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -73.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -908.555466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.555466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.555466 (E_RNA)
where:
Base-Base interactions energy: -625.550
where: short stacking energy: -259.347
Base-Backbone interact. energy: -0.562
local terms energy: -282.443920
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -59.582
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -81.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -800.660346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.660346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.660346 (E_RNA)
where:
Base-Base interactions energy: -552.163
where: short stacking energy: -250.370
Base-Backbone interact. energy: -0.623
local terms energy: -247.874838
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -71.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -820.591019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.591019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.591019 (E_RNA)
where:
Base-Base interactions energy: -553.882
where: short stacking energy: -249.132
Base-Backbone interact. energy: -0.447
local terms energy: -266.262085
where:
bonds (distance) C4'-P energy: -44.771
bonds (distance) P-C4' energy: -53.587
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -70.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -791.919927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.919927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.919927 (E_RNA)
where:
Base-Base interactions energy: -554.387
where: short stacking energy: -225.261
Base-Backbone interact. energy: 0.254
local terms energy: -237.786907
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -52.446
flat angles P-C4'-P energy: -34.903
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: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -760.744792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.744792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.744792 (E_RNA)
where:
Base-Base interactions energy: -515.182
where: short stacking energy: -222.284
Base-Backbone interact. energy: -0.318
local terms energy: -245.245070
where:
bonds (distance) C4'-P energy: -40.210
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -53.268
flat angles P-C4'-P energy: -32.725
tors. eta vs tors. theta energy: -68.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -728.461148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.461148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.461148 (E_RNA)
where:
Base-Base interactions energy: -515.239
where: short stacking energy: -213.358
Base-Backbone interact. energy: -0.599
local terms energy: -212.622750
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -50.176
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: -59.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -487.138323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.138323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.138323 (E_RNA)
where:
Base-Base interactions energy: -281.188
where: short stacking energy: -133.770
Base-Backbone interact. energy: 0.738
local terms energy: -206.688448
where:
bonds (distance) C4'-P energy: -56.018
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -44.737
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -244.581475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.581475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.581475 (E_RNA)
where:
Base-Base interactions energy: -82.308
where: short stacking energy: -58.968
Base-Backbone interact. energy: -1.274
local terms energy: -160.999536
where:
bonds (distance) C4'-P energy: -53.453
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: 3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -966.835473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.835473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.835473 (E_RNA)
where:
Base-Base interactions energy: -679.165
where: short stacking energy: -289.884
Base-Backbone interact. energy: 0.721
local terms energy: -288.391723
where:
bonds (distance) C4'-P energy: -52.415
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -83.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -908.905080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.905080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.905080 (E_RNA)
where:
Base-Base interactions energy: -625.532
where: short stacking energy: -270.825
Base-Backbone interact. energy: -0.211
local terms energy: -283.161474
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -53.449
flat angles C4'-P-C4' energy: -61.457
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -76.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -929.389891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.389891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.389891 (E_RNA)
where:
Base-Base interactions energy: -661.033
where: short stacking energy: -273.027
Base-Backbone interact. energy: -0.402
local terms energy: -267.954924
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -39.704
tors. eta vs tors. theta energy: -72.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -828.329424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.329424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.329424 (E_RNA)
where:
Base-Base interactions energy: -568.483
where: short stacking energy: -247.582
Base-Backbone interact. energy: -1.275
local terms energy: -258.570523
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -48.243
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -69.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -816.494765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.494765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.494765 (E_RNA)
where:
Base-Base interactions energy: -556.482
where: short stacking energy: -253.887
Base-Backbone interact. energy: -0.213
local terms energy: -259.799864
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -75.031
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: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -814.296599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.296599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.296599 (E_RNA)
where:
Base-Base interactions energy: -552.791
where: short stacking energy: -237.361
Base-Backbone interact. energy: -1.618
local terms energy: -259.887774
where:
bonds (distance) C4'-P energy: -45.606
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -54.155
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -69.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -762.015593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.015593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.015593 (E_RNA)
where:
Base-Base interactions energy: -518.969
where: short stacking energy: -227.161
Base-Backbone interact. energy: -1.265
local terms energy: -241.781845
where:
bonds (distance) C4'-P energy: -49.155
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -39.321
tors. eta vs tors. theta energy: -63.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -745.648223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.648223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.648223 (E_RNA)
where:
Base-Base interactions energy: -520.928
where: short stacking energy: -224.567
Base-Backbone interact. energy: 0.905
local terms energy: -225.625650
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -49.664
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -61.401
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: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -528.062191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.062191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.062191 (E_RNA)
where:
Base-Base interactions energy: -328.870
where: short stacking energy: -165.559
Base-Backbone interact. energy: -0.175
local terms energy: -199.017607
where:
bonds (distance) C4'-P energy: -56.291
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -26.333
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: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -251.653014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.653014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.653014 (E_RNA)
where:
Base-Base interactions energy: -113.720
where: short stacking energy: -62.411
Base-Backbone interact. energy: -0.954
local terms energy: -136.978552
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: 5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -961.610982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.610982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.610982 (E_RNA)
where:
Base-Base interactions energy: -656.743
where: short stacking energy: -282.216
Base-Backbone interact. energy: -0.869
local terms energy: -303.998981
where:
bonds (distance) C4'-P energy: -52.821
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -60.671
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -85.368
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: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -908.115905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.115905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.115905 (E_RNA)
where:
Base-Base interactions energy: -608.970
where: short stacking energy: -261.088
Base-Backbone interact. energy: -0.054
local terms energy: -299.091876
where:
bonds (distance) C4'-P energy: -56.998
bonds (distance) P-C4' energy: -56.002
flat angles C4'-P-C4' energy: -63.925
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -80.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -892.529853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.529853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.529853 (E_RNA)
where:
Base-Base interactions energy: -622.622
where: short stacking energy: -275.315
Base-Backbone interact. energy: -1.071
local terms energy: -268.836342
where:
bonds (distance) C4'-P energy: -48.942
bonds (distance) P-C4' energy: -55.892
flat angles C4'-P-C4' energy: -53.568
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -75.119
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: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -837.166755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.166755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.166755 (E_RNA)
where:
Base-Base interactions energy: -567.104
where: short stacking energy: -242.925
Base-Backbone interact. energy: -0.439
local terms energy: -269.623787
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -59.270
flat angles C4'-P-C4' energy: -46.520
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -74.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -812.231211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.231211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.231211 (E_RNA)
where:
Base-Base interactions energy: -538.269
where: short stacking energy: -225.649
Base-Backbone interact. energy: 0.025
local terms energy: -273.987575
where:
bonds (distance) C4'-P energy: -48.065
bonds (distance) P-C4' energy: -50.784
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -44.999
tors. eta vs tors. theta energy: -77.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -767.261619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.261619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.261619 (E_RNA)
where:
Base-Base interactions energy: -519.888
where: short stacking energy: -226.625
Base-Backbone interact. energy: -0.959
local terms energy: -246.414336
where:
bonds (distance) C4'-P energy: -49.019
bonds (distance) P-C4' energy: -41.918
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -31.054
tors. eta vs tors. theta energy: -65.074
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: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -779.090626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.090626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.090626 (E_RNA)
where:
Base-Base interactions energy: -523.982
where: short stacking energy: -223.135
Base-Backbone interact. energy: -0.820
local terms energy: -254.288689
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -51.119
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -33.271
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: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -739.721253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.721253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.721253 (E_RNA)
where:
Base-Base interactions energy: -516.699
where: short stacking energy: -223.607
Base-Backbone interact. energy: -0.266
local terms energy: -222.755994
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -64.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -503.335752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.335752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.335752 (E_RNA)
where:
Base-Base interactions energy: -304.368
where: short stacking energy: -133.590
Base-Backbone interact. energy: -1.851
local terms energy: -197.115972
where:
bonds (distance) C4'-P energy: -50.470
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -45.239
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -234.946426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.946426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.946426 (E_RNA)
where:
Base-Base interactions energy: -92.168
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.808
local terms energy: -141.970349
where:
bonds (distance) C4'-P energy: -36.795
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: 6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -960.188706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.188706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.188706 (E_RNA)
where:
Base-Base interactions energy: -646.652
where: short stacking energy: -287.444
Base-Backbone interact. energy: -0.868
local terms energy: -312.668505
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -47.183
tors. eta vs tors. theta energy: -88.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -924.268162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.268162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.268162 (E_RNA)
where:
Base-Base interactions energy: -628.144
where: short stacking energy: -272.997
Base-Backbone interact. energy: -1.239
local terms energy: -294.885230
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -56.102
flat angles C4'-P-C4' energy: -62.190
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -84.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -878.564747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.564747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.564747 (E_RNA)
where:
Base-Base interactions energy: -606.279
where: short stacking energy: -263.176
Base-Backbone interact. energy: -0.420
local terms energy: -271.865876
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -50.564
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -76.966
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: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -800.058595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.058595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.058595 (E_RNA)
where:
Base-Base interactions energy: -549.189
where: short stacking energy: -239.557
Base-Backbone interact. energy: -1.290
local terms energy: -249.579551
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -41.993
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -41.286
tors. eta vs tors. theta energy: -60.235
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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -806.234803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.234803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.234803 (E_RNA)
where:
Base-Base interactions energy: -552.697
where: short stacking energy: -242.860
Base-Backbone interact. energy: 0.030
local terms energy: -253.568184
where:
bonds (distance) C4'-P energy: -52.873
bonds (distance) P-C4' energy: -43.134
flat angles C4'-P-C4' energy: -50.799
flat angles P-C4'-P energy: -38.555
tors. eta vs tors. theta energy: -68.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -732.455068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.455068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.455068 (E_RNA)
where:
Base-Base interactions energy: -496.777
where: short stacking energy: -224.808
Base-Backbone interact. energy: -1.677
local terms energy: -234.000906
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -44.992
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -63.492
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: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -751.292046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.292046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.292046 (E_RNA)
where:
Base-Base interactions energy: -505.196
where: short stacking energy: -206.637
Base-Backbone interact. energy: -0.366
local terms energy: -245.730497
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -51.238
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -64.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -751.056228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.056228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.056228 (E_RNA)
where:
Base-Base interactions energy: -516.758
where: short stacking energy: -207.903
Base-Backbone interact. energy: -0.390
local terms energy: -233.908529
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -42.516
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -37.795
tors. eta vs tors. theta energy: -59.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -533.552317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.552317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.552317 (E_RNA)
where:
Base-Base interactions energy: -332.616
where: short stacking energy: -156.319
Base-Backbone interact. energy: -0.722
local terms energy: -200.214540
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -37.833
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -42.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -219.362854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.362854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.362854 (E_RNA)
where:
Base-Base interactions energy: -74.145
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.027
local terms energy: -145.190724
where:
bonds (distance) C4'-P energy: -37.577
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -40.938
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: 10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -960.901271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.901271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.901271 (E_RNA)
where:
Base-Base interactions energy: -660.799
where: short stacking energy: -291.612
Base-Backbone interact. energy: -0.575
local terms energy: -299.526491
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -53.263
flat angles C4'-P-C4' energy: -61.730
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -85.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -937.866196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.866196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.866196 (E_RNA)
where:
Base-Base interactions energy: -642.674
where: short stacking energy: -270.851
Base-Backbone interact. energy: -1.393
local terms energy: -293.799176
where:
bonds (distance) C4'-P energy: -48.359
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -64.362
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -80.961
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: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -876.105995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.105995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.105995 (E_RNA)
where:
Base-Base interactions energy: -610.729
where: short stacking energy: -254.705
Base-Backbone interact. energy: -1.867
local terms energy: -263.509937
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -59.470
flat angles P-C4'-P energy: -35.109
tors. eta vs tors. theta energy: -72.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -840.309974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.309974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.309974 (E_RNA)
where:
Base-Base interactions energy: -565.374
where: short stacking energy: -247.404
Base-Backbone interact. energy: -0.392
local terms energy: -274.543747
where:
bonds (distance) C4'-P energy: -55.205
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -34.642
tors. eta vs tors. theta energy: -79.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -811.311429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.311429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.311429 (E_RNA)
where:
Base-Base interactions energy: -546.764
where: short stacking energy: -238.596
Base-Backbone interact. energy: -0.444
local terms energy: -264.103390
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -55.407
flat angles P-C4'-P energy: -34.807
tors. eta vs tors. theta energy: -70.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -766.071785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.071785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.071785 (E_RNA)
where:
Base-Base interactions energy: -523.989
where: short stacking energy: -222.544
Base-Backbone interact. energy: -0.645
local terms energy: -241.437817
where:
bonds (distance) C4'-P energy: -49.763
bonds (distance) P-C4' energy: -52.113
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -60.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -718.898001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.898001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.898001 (E_RNA)
where:
Base-Base interactions energy: -498.911
where: short stacking energy: -196.348
Base-Backbone interact. energy: 0.787
local terms energy: -220.774273
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -56.811
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -46.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -754.678061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.678061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.678061 (E_RNA)
where:
Base-Base interactions energy: -512.427
where: short stacking energy: -219.653
Base-Backbone interact. energy: -0.848
local terms energy: -241.402810
where:
bonds (distance) C4'-P energy: -48.140
bonds (distance) P-C4' energy: -42.996
flat angles C4'-P-C4' energy: -58.911
flat angles P-C4'-P energy: -32.377
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: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -572.727685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.727685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.727685 (E_RNA)
where:
Base-Base interactions energy: -373.068
where: short stacking energy: -177.446
Base-Backbone interact. energy: 1.865
local terms energy: -201.524490
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -48.444
flat angles C4'-P-C4' energy: -51.833
flat angles P-C4'-P energy: -28.632
tors. eta vs tors. theta energy: -39.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -237.277979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.277979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.277979 (E_RNA)
where:
Base-Base interactions energy: -101.652
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.441
local terms energy: -135.184331
where:
bonds (distance) C4'-P energy: -50.106
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -41.750
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: 11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -967.736703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.736703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.736703 (E_RNA)
where:
Base-Base interactions energy: -667.089
where: short stacking energy: -303.308
Base-Backbone interact. energy: -2.168
local terms energy: -298.479906
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -57.100
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -90.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -945.057392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.057392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.057392 (E_RNA)
where:
Base-Base interactions energy: -650.863
where: short stacking energy: -275.141
Base-Backbone interact. energy: -2.868
local terms energy: -291.326467
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -55.167
flat angles C4'-P-C4' energy: -57.658
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -89.364
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: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -870.896071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.896071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.896071 (E_RNA)
where:
Base-Base interactions energy: -579.046
where: short stacking energy: -270.516
Base-Backbone interact. energy: -1.653
local terms energy: -290.197052
where:
bonds (distance) C4'-P energy: -48.935
bonds (distance) P-C4' energy: -57.057
flat angles C4'-P-C4' energy: -62.978
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -75.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -893.891108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.891108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.891108 (E_RNA)
where:
Base-Base interactions energy: -611.242
where: short stacking energy: -267.346
Base-Backbone interact. energy: -0.527
local terms energy: -282.122528
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -52.616
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -78.415
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: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -807.825846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.825846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.825846 (E_RNA)
where:
Base-Base interactions energy: -543.179
where: short stacking energy: -234.965
Base-Backbone interact. energy: -0.380
local terms energy: -264.267615
where:
bonds (distance) C4'-P energy: -43.539
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -61.503
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -73.941
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: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -759.627648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.627648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.627648 (E_RNA)
where:
Base-Base interactions energy: -507.682
where: short stacking energy: -219.688
Base-Backbone interact. energy: -0.382
local terms energy: -251.563528
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -54.495
flat angles C4'-P-C4' energy: -50.303
flat angles P-C4'-P energy: -32.279
tors. eta vs tors. theta energy: -56.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -719.164800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.164800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.164800 (E_RNA)
where:
Base-Base interactions energy: -480.175
where: short stacking energy: -212.419
Base-Backbone interact. energy: -4.408
local terms energy: -234.582707
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -50.930
flat angles P-C4'-P energy: -34.352
tors. eta vs tors. theta energy: -56.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -734.751443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.751443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.751443 (E_RNA)
where:
Base-Base interactions energy: -519.139
where: short stacking energy: -214.983
Base-Backbone interact. energy: -1.277
local terms energy: -214.335736
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -55.916
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -63.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -535.160548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.160548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.160548 (E_RNA)
where:
Base-Base interactions energy: -359.269
where: short stacking energy: -164.473
Base-Backbone interact. energy: 1.284
local terms energy: -177.175519
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -41.556
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -36.586
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: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -218.509007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.509007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.509007 (E_RNA)
where:
Base-Base interactions energy: -70.859
where: short stacking energy: -63.377
Base-Backbone interact. energy: 2.013
local terms energy: -149.663783
where:
bonds (distance) C4'-P energy: -46.308
bonds (distance) P-C4' energy: -46.230
flat angles C4'-P-C4' energy: -37.535
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -1.318
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: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -969.273548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.273548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.273548 (E_RNA)
where:
Base-Base interactions energy: -668.836
where: short stacking energy: -301.976
Base-Backbone interact. energy: -0.720
local terms energy: -299.717619
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -52.240
flat angles C4'-P-C4' energy: -61.975
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: -95.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -943.448852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.448852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.448852 (E_RNA)
where:
Base-Base interactions energy: -656.178
where: short stacking energy: -280.970
Base-Backbone interact. energy: -0.627
local terms energy: -286.644244
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -60.699
flat angles C4'-P-C4' energy: -58.536
flat angles P-C4'-P energy: -41.628
tors. eta vs tors. theta energy: -82.428
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: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -844.618340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.618340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.618340 (E_RNA)
where:
Base-Base interactions energy: -576.948
where: short stacking energy: -243.055
Base-Backbone interact. energy: -1.973
local terms energy: -265.697499
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -69.354
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: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -868.762852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.762852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.762852 (E_RNA)
where:
Base-Base interactions energy: -601.769
where: short stacking energy: -258.005
Base-Backbone interact. energy: -0.588
local terms energy: -266.406628
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -36.243
tors. eta vs tors. theta energy: -80.275
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: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -819.062426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.062426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.062426 (E_RNA)
where:
Base-Base interactions energy: -561.024
where: short stacking energy: -244.919
Base-Backbone interact. energy: -0.473
local terms energy: -257.565192
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -48.953
flat angles C4'-P-C4' energy: -54.183
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -69.215
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: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -771.203179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.203179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.203179 (E_RNA)
where:
Base-Base interactions energy: -506.705
where: short stacking energy: -222.014
Base-Backbone interact. energy: -1.088
local terms energy: -263.409564
where:
bonds (distance) C4'-P energy: -47.446
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -54.944
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -66.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -653.474477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.474477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.474477 (E_RNA)
where:
Base-Base interactions energy: -433.452
where: short stacking energy: -177.220
Base-Backbone interact. energy: -1.540
local terms energy: -218.482479
where:
bonds (distance) C4'-P energy: -49.043
bonds (distance) P-C4' energy: -45.070
flat angles C4'-P-C4' energy: -50.482
flat angles P-C4'-P energy: -32.987
tors. eta vs tors. theta energy: -40.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -713.357224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.357224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.357224 (E_RNA)
where:
Base-Base interactions energy: -485.331
where: short stacking energy: -201.322
Base-Backbone interact. energy: -0.162
local terms energy: -227.863800
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -34.273
tors. eta vs tors. theta energy: -54.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -468.806284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.806284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.806284 (E_RNA)
where:
Base-Base interactions energy: -283.072
where: short stacking energy: -134.061
Base-Backbone interact. energy: 1.458
local terms energy: -187.192169
where:
bonds (distance) C4'-P energy: -50.170
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -27.644
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: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -234.640155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.640155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.640155 (E_RNA)
where:
Base-Base interactions energy: -91.932
where: short stacking energy: -71.942
Base-Backbone interact. energy: 0.120
local terms energy: -142.827608
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -50.432
flat angles C4'-P-C4' energy: -34.479
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: 13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -956.228125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.228125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.228125 (E_RNA)
where:
Base-Base interactions energy: -649.987
where: short stacking energy: -285.421
Base-Backbone interact. energy: -1.457
local terms energy: -304.784884
where:
bonds (distance) C4'-P energy: -55.998
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -62.374
flat angles P-C4'-P energy: -40.911
tors. eta vs tors. theta energy: -85.473
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: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -931.924187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.924187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.924187 (E_RNA)
where:
Base-Base interactions energy: -649.899
where: short stacking energy: -278.214
Base-Backbone interact. energy: 0.492
local terms energy: -282.517663
where:
bonds (distance) C4'-P energy: -50.195
bonds (distance) P-C4' energy: -47.869
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -82.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -871.005364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.005364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.005364 (E_RNA)
where:
Base-Base interactions energy: -585.040
where: short stacking energy: -250.792
Base-Backbone interact. energy: -0.657
local terms energy: -285.308909
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -59.612
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -77.827
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -833.729854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.729854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.729854 (E_RNA)
where:
Base-Base interactions energy: -579.090
where: short stacking energy: -246.683
Base-Backbone interact. energy: -2.507
local terms energy: -252.133309
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -54.289
flat angles C4'-P-C4' energy: -53.255
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -68.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -819.371886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.371886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.371886 (E_RNA)
where:
Base-Base interactions energy: -571.914
where: short stacking energy: -238.008
Base-Backbone interact. energy: -1.503
local terms energy: -245.955156
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -53.552
flat angles C4'-P-C4' energy: -46.396
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -67.645
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: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -757.043966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.043966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.043966 (E_RNA)
where:
Base-Base interactions energy: -512.113
where: short stacking energy: -212.076
Base-Backbone interact. energy: -0.450
local terms energy: -244.481078
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -48.584
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -30.181
tors. eta vs tors. theta energy: -57.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -624.455347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.455347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.455347 (E_RNA)
where:
Base-Base interactions energy: -411.274
where: short stacking energy: -174.694
Base-Backbone interact. energy: 0.198
local terms energy: -213.378504
where:
bonds (distance) C4'-P energy: -40.388
bonds (distance) P-C4' energy: -44.655
flat angles C4'-P-C4' energy: -48.395
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -47.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -725.608886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.608886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.608886 (E_RNA)
where:
Base-Base interactions energy: -494.475
where: short stacking energy: -220.855
Base-Backbone interact. energy: -0.496
local terms energy: -230.636954
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -55.652
flat angles C4'-P-C4' energy: -51.212
flat angles P-C4'-P energy: -26.537
tors. eta vs tors. theta energy: -61.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -464.774321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.774321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.774321 (E_RNA)
where:
Base-Base interactions energy: -274.806
where: short stacking energy: -121.028
Base-Backbone interact. energy: -1.657
local terms energy: -188.311900
where:
bonds (distance) C4'-P energy: -48.634
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -18.195
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: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -219.517288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.517288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.517288 (E_RNA)
where:
Base-Base interactions energy: -81.212
where: short stacking energy: -60.286
Base-Backbone interact. energy: 0.765
local terms energy: -139.070565
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -30.599
tors. eta vs tors. theta energy: 8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -946.200377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.200377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.200377 (E_RNA)
where:
Base-Base interactions energy: -659.925
where: short stacking energy: -280.904
Base-Backbone interact. energy: 1.108
local terms energy: -287.383396
where:
bonds (distance) C4'-P energy: -46.878
bonds (distance) P-C4' energy: -60.426
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -40.110
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: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -935.521969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.521969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.521969 (E_RNA)
where:
Base-Base interactions energy: -653.671
where: short stacking energy: -289.145
Base-Backbone interact. energy: -0.638
local terms energy: -281.213442
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -58.617
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -84.724
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: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -871.005671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.005671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.005671 (E_RNA)
where:
Base-Base interactions energy: -596.368
where: short stacking energy: -240.594
Base-Backbone interact. energy: -0.081
local terms energy: -274.556047
where:
bonds (distance) C4'-P energy: -52.108
bonds (distance) P-C4' energy: -48.358
flat angles C4'-P-C4' energy: -56.489
flat angles P-C4'-P energy: -45.368
tors. eta vs tors. theta energy: -72.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -820.683232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.683232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.683232 (E_RNA)
where:
Base-Base interactions energy: -569.870
where: short stacking energy: -234.347
Base-Backbone interact. energy: -1.918
local terms energy: -248.895053
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -52.380
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -26.566
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: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -809.610840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.610840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.610840 (E_RNA)
where:
Base-Base interactions energy: -551.246
where: short stacking energy: -240.975
Base-Backbone interact. energy: 1.224
local terms energy: -259.589365
where:
bonds (distance) C4'-P energy: -51.135
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -58.689
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: -69.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -762.775867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.775867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.775867 (E_RNA)
where:
Base-Base interactions energy: -511.774
where: short stacking energy: -213.901
Base-Backbone interact. energy: -0.488
local terms energy: -250.513208
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -35.440
tors. eta vs tors. theta energy: -64.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -642.279269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.279269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.279269 (E_RNA)
where:
Base-Base interactions energy: -437.741
where: short stacking energy: -183.303
Base-Backbone interact. energy: -0.815
local terms energy: -203.723768
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -49.374
flat angles C4'-P-C4' energy: -41.164
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -31.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -744.327708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.327708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.327708 (E_RNA)
where:
Base-Base interactions energy: -523.724
where: short stacking energy: -221.146
Base-Backbone interact. energy: 2.500
local terms energy: -223.104452
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -44.509
flat angles C4'-P-C4' energy: -59.619
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -62.860
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: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -487.035222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.035222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.035222 (E_RNA)
where:
Base-Base interactions energy: -311.333
where: short stacking energy: -137.539
Base-Backbone interact. energy: -0.789
local terms energy: -174.913004
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -42.600
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -19.260
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: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -228.386784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.386784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.386784 (E_RNA)
where:
Base-Base interactions energy: -61.788
where: short stacking energy: -51.553
Base-Backbone interact. energy: -0.257
local terms energy: -166.341666
where:
bonds (distance) C4'-P energy: -45.998
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -51.964
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: 8.749
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: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -955.267658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.267658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.267658 (E_RNA)
where:
Base-Base interactions energy: -654.065
where: short stacking energy: -268.252
Base-Backbone interact. energy: 1.165
local terms energy: -302.367110
where:
bonds (distance) C4'-P energy: -56.345
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -56.233
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -89.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -953.838236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.838236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.838236 (E_RNA)
where:
Base-Base interactions energy: -648.314
where: short stacking energy: -290.912
Base-Backbone interact. energy: -1.135
local terms energy: -304.388945
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -68.467
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -81.903
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: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -848.708248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.708248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.708248 (E_RNA)
where:
Base-Base interactions energy: -578.752
where: short stacking energy: -254.437
Base-Backbone interact. energy: 1.131
local terms energy: -271.086983
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -52.530
flat angles C4'-P-C4' energy: -49.220
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -71.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -841.932572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.932572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.932572 (E_RNA)
where:
Base-Base interactions energy: -592.038
where: short stacking energy: -267.433
Base-Backbone interact. energy: -0.516
local terms energy: -249.378307
where:
bonds (distance) C4'-P energy: -49.180
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -55.022
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -74.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -782.583850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.583850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.583850 (E_RNA)
where:
Base-Base interactions energy: -514.095
where: short stacking energy: -224.812
Base-Backbone interact. energy: -0.399
local terms energy: -268.089159
where:
bonds (distance) C4'-P energy: -47.476
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -65.135
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -72.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -804.325038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.325038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.325038 (E_RNA)
where:
Base-Base interactions energy: -534.085
where: short stacking energy: -243.043
Base-Backbone interact. energy: -0.662
local terms energy: -269.578280
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -50.596
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -37.462
tors. eta vs tors. theta energy: -74.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -790.138798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.138798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.138798 (E_RNA)
where:
Base-Base interactions energy: -553.507
where: short stacking energy: -237.249
Base-Backbone interact. energy: -0.699
local terms energy: -235.933419
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -42.885
flat angles C4'-P-C4' energy: -55.379
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -58.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -607.573558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.573558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.573558 (E_RNA)
where:
Base-Base interactions energy: -418.960
where: short stacking energy: -178.980
Base-Backbone interact. energy: -0.986
local terms energy: -187.628266
where:
bonds (distance) C4'-P energy: -45.885
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -44.421
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -517.677062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.677062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.677062 (E_RNA)
where:
Base-Base interactions energy: -320.658
where: short stacking energy: -144.364
Base-Backbone interact. energy: -0.933
local terms energy: -196.085282
where:
bonds (distance) C4'-P energy: -50.177
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -47.733
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -242.060114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.060114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.060114 (E_RNA)
where:
Base-Base interactions energy: -101.325
where: short stacking energy: -73.630
Base-Backbone interact. energy: -0.892
local terms energy: -139.843413
where:
bonds (distance) C4'-P energy: -38.539
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -30.673
tors. eta vs tors. theta energy: 10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -944.230110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.230110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.230110 (E_RNA)
where:
Base-Base interactions energy: -647.816
where: short stacking energy: -276.348
Base-Backbone interact. energy: -0.852
local terms energy: -295.561709
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -60.569
flat angles P-C4'-P energy: -44.616
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: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -958.143412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.143412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.143412 (E_RNA)
where:
Base-Base interactions energy: -663.893
where: short stacking energy: -289.616
Base-Backbone interact. energy: -0.008
local terms energy: -294.242521
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -45.744
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: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -863.147600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.147600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.147600 (E_RNA)
where:
Base-Base interactions energy: -592.604
where: short stacking energy: -258.781
Base-Backbone interact. energy: -0.632
local terms energy: -269.911755
where:
bonds (distance) C4'-P energy: -42.168
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -74.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -830.664039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.664039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.664039 (E_RNA)
where:
Base-Base interactions energy: -563.973
where: short stacking energy: -237.599
Base-Backbone interact. energy: -1.470
local terms energy: -265.220805
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -55.140
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -72.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -811.828782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.828782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.828782 (E_RNA)
where:
Base-Base interactions energy: -557.704
where: short stacking energy: -233.714
Base-Backbone interact. energy: -0.624
local terms energy: -253.500292
where:
bonds (distance) C4'-P energy: -57.298
bonds (distance) P-C4' energy: -44.140
flat angles C4'-P-C4' energy: -51.561
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -65.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -764.968675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.968675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.968675 (E_RNA)
where:
Base-Base interactions energy: -524.701
where: short stacking energy: -220.699
Base-Backbone interact. energy: -2.165
local terms energy: -238.102729
where:
bonds (distance) C4'-P energy: -50.868
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -50.373
flat angles P-C4'-P energy: -35.734
tors. eta vs tors. theta energy: -59.940
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: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -782.949285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.949285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.949285 (E_RNA)
where:
Base-Base interactions energy: -535.968
where: short stacking energy: -228.284
Base-Backbone interact. energy: -1.018
local terms energy: -245.962519
where:
bonds (distance) C4'-P energy: -38.671
bonds (distance) P-C4' energy: -45.175
flat angles C4'-P-C4' energy: -52.824
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -71.760
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: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -595.926292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.926292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.926292 (E_RNA)
where:
Base-Base interactions energy: -400.986
where: short stacking energy: -162.588
Base-Backbone interact. energy: -0.316
local terms energy: -194.623737
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -47.115
flat angles P-C4'-P energy: -28.088
tors. eta vs tors. theta energy: -33.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -539.817034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.817034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.817034 (E_RNA)
where:
Base-Base interactions energy: -365.750
where: short stacking energy: -154.669
Base-Backbone interact. energy: -0.275
local terms energy: -173.792147
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -19.287
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -224.840451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.840451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.840451 (E_RNA)
where:
Base-Base interactions energy: -72.079
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.926
local terms energy: -151.835622
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -46.643
flat angles C4'-P-C4' energy: -41.974
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: 10.616
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: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -963.272606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.272606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.272606 (E_RNA)
where:
Base-Base interactions energy: -666.177
where: short stacking energy: -283.537
Base-Backbone interact. energy: -2.382
local terms energy: -294.714193
where:
bonds (distance) C4'-P energy: -57.526
bonds (distance) P-C4' energy: -48.811
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: -85.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -950.032062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.032062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.032062 (E_RNA)
where:
Base-Base interactions energy: -661.860
where: short stacking energy: -279.668
Base-Backbone interact. energy: -0.512
local terms energy: -287.659731
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -51.134
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -88.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -847.143891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.143891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.143891 (E_RNA)
where:
Base-Base interactions energy: -584.529
where: short stacking energy: -250.768
Base-Backbone interact. energy: -0.525
local terms energy: -262.089824
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -58.431
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -69.343
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: 4, replica: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -825.485004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.485004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.485004 (E_RNA)
where:
Base-Base interactions energy: -567.314
where: short stacking energy: -234.754
Base-Backbone interact. energy: -0.560
local terms energy: -257.610450
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -64.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -812.943702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.943702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.943702 (E_RNA)
where:
Base-Base interactions energy: -560.413
where: short stacking energy: -249.910
Base-Backbone interact. energy: -0.893
local terms energy: -251.637467
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -35.116
tors. eta vs tors. theta energy: -71.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -780.692948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.692948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.692948 (E_RNA)
where:
Base-Base interactions energy: -522.528
where: short stacking energy: -240.455
Base-Backbone interact. energy: -0.435
local terms energy: -257.729974
where:
bonds (distance) C4'-P energy: -43.612
bonds (distance) P-C4' energy: -55.227
flat angles C4'-P-C4' energy: -58.237
flat angles P-C4'-P energy: -32.546
tors. eta vs tors. theta energy: -68.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -764.596351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.596351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.596351 (E_RNA)
where:
Base-Base interactions energy: -527.539
where: short stacking energy: -216.931
Base-Backbone interact. energy: -1.382
local terms energy: -235.675540
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -58.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -606.932602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.932602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.932602 (E_RNA)
where:
Base-Base interactions energy: -404.836
where: short stacking energy: -163.372
Base-Backbone interact. energy: 2.213
local terms energy: -204.309669
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -45.585
flat angles C4'-P-C4' energy: -50.258
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -36.743
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: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -560.456184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.456184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.456184 (E_RNA)
where:
Base-Base interactions energy: -351.511
where: short stacking energy: -160.909
Base-Backbone interact. energy: -0.399
local terms energy: -208.546660
where:
bonds (distance) C4'-P energy: -45.332
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -44.837
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -41.397
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: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -216.507292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.507292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.507292 (E_RNA)
where:
Base-Base interactions energy: -79.946
where: short stacking energy: -73.698
Base-Backbone interact. energy: 1.471
local terms energy: -138.032221
where:
bonds (distance) C4'-P energy: -42.607
bonds (distance) P-C4' energy: -45.038
flat angles C4'-P-C4' energy: -39.168
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: 3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -957.429311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.429311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.429311 (E_RNA)
where:
Base-Base interactions energy: -661.462
where: short stacking energy: -271.977
Base-Backbone interact. energy: -0.733
local terms energy: -295.234745
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -50.807
flat angles C4'-P-C4' energy: -63.106
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -85.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -948.745448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.745448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.745448 (E_RNA)
where:
Base-Base interactions energy: -656.380
where: short stacking energy: -288.123
Base-Backbone interact. energy: -0.020
local terms energy: -292.345363
where:
bonds (distance) C4'-P energy: -54.158
bonds (distance) P-C4' energy: -54.683
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -87.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -868.962849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.962849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.962849 (E_RNA)
where:
Base-Base interactions energy: -585.932
where: short stacking energy: -250.594
Base-Backbone interact. energy: -1.258
local terms energy: -281.772197
where:
bonds (distance) C4'-P energy: -45.919
bonds (distance) P-C4' energy: -56.315
flat angles C4'-P-C4' energy: -58.947
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -78.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -839.143764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.143764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.143764 (E_RNA)
where:
Base-Base interactions energy: -558.061
where: short stacking energy: -254.582
Base-Backbone interact. energy: 0.333
local terms energy: -281.415396
where:
bonds (distance) C4'-P energy: -56.537
bonds (distance) P-C4' energy: -51.689
flat angles C4'-P-C4' energy: -54.856
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -77.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -814.593715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.593715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.593715 (E_RNA)
where:
Base-Base interactions energy: -564.476
where: short stacking energy: -235.615
Base-Backbone interact. energy: 0.091
local terms energy: -250.208198
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -51.750
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -63.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -797.452916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.452916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.452916 (E_RNA)
where:
Base-Base interactions energy: -564.361
where: short stacking energy: -248.789
Base-Backbone interact. energy: 1.305
local terms energy: -234.396965
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -44.465
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -70.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -738.200853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.200853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.200853 (E_RNA)
where:
Base-Base interactions energy: -510.764
where: short stacking energy: -227.336
Base-Backbone interact. energy: -0.849
local terms energy: -226.586987
where:
bonds (distance) C4'-P energy: -39.206
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -51.061
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: -57.120
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: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -616.934435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.934435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.934435 (E_RNA)
where:
Base-Base interactions energy: -402.324
where: short stacking energy: -178.397
Base-Backbone interact. energy: -0.521
local terms energy: -214.089883
where:
bonds (distance) C4'-P energy: -49.637
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -35.167
tors. eta vs tors. theta energy: -39.692
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: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -489.606574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.606574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.606574 (E_RNA)
where:
Base-Base interactions energy: -307.618
where: short stacking energy: -153.144
Base-Backbone interact. energy: 0.980
local terms energy: -182.968861
where:
bonds (distance) C4'-P energy: -35.348
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -30.237
tors. eta vs tors. theta energy: -25.786
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: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -218.197652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.197652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.197652 (E_RNA)
where:
Base-Base interactions energy: -75.607
where: short stacking energy: -54.724
Base-Backbone interact. energy: -2.522
local terms energy: -140.069502
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: 13.881
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: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -961.021931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.021931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.021931 (E_RNA)
where:
Base-Base interactions energy: -660.790
where: short stacking energy: -290.351
Base-Backbone interact. energy: -0.985
local terms energy: -299.246427
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -89.107
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: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -952.779551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.779551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.779551 (E_RNA)
where:
Base-Base interactions energy: -660.073
where: short stacking energy: -289.212
Base-Backbone interact. energy: -0.585
local terms energy: -292.121086
where:
bonds (distance) C4'-P energy: -48.131
bonds (distance) P-C4' energy: -52.938
flat angles C4'-P-C4' energy: -62.443
flat angles P-C4'-P energy: -45.901
tors. eta vs tors. theta energy: -82.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -836.227934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.227934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.227934 (E_RNA)
where:
Base-Base interactions energy: -572.389
where: short stacking energy: -239.781
Base-Backbone interact. energy: -0.242
local terms energy: -263.597276
where:
bonds (distance) C4'-P energy: -46.408
bonds (distance) P-C4' energy: -57.871
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -36.174
tors. eta vs tors. theta energy: -64.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -870.912141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.912141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.912141 (E_RNA)
where:
Base-Base interactions energy: -607.965
where: short stacking energy: -270.301
Base-Backbone interact. energy: 0.492
local terms energy: -263.439631
where:
bonds (distance) C4'-P energy: -47.512
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -76.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -820.778864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.778864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.778864 (E_RNA)
where:
Base-Base interactions energy: -563.631
where: short stacking energy: -226.026
Base-Backbone interact. energy: -0.842
local terms energy: -256.305729
where:
bonds (distance) C4'-P energy: -56.496
bonds (distance) P-C4' energy: -47.292
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -68.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -803.553742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.553742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.553742 (E_RNA)
where:
Base-Base interactions energy: -552.603
where: short stacking energy: -247.625
Base-Backbone interact. energy: -1.057
local terms energy: -249.893972
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -39.113
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -75.423
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: 262
Temperature: 1.200000
Total energy: -742.645294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.645294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.645294 (E_RNA)
where:
Base-Base interactions energy: -517.006
where: short stacking energy: -215.723
Base-Backbone interact. energy: -1.127
local terms energy: -224.512827
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -49.089
flat angles P-C4'-P energy: -33.270
tors. eta vs tors. theta energy: -54.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -592.418902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.418902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.418902 (E_RNA)
where:
Base-Base interactions energy: -388.110
where: short stacking energy: -182.705
Base-Backbone interact. energy: 0.996
local terms energy: -205.304853
where:
bonds (distance) C4'-P energy: -44.175
bonds (distance) P-C4' energy: -41.608
flat angles C4'-P-C4' energy: -48.365
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: -42.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -434.593469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.593469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.593469 (E_RNA)
where:
Base-Base interactions energy: -254.213
where: short stacking energy: -116.185
Base-Backbone interact. energy: -1.324
local terms energy: -179.057413
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -48.627
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: -29.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -218.685338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.685338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.685338 (E_RNA)
where:
Base-Base interactions energy: -85.411
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.914
local terms energy: -132.360550
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -43.526
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -30.379
tors. eta vs tors. theta energy: 11.478
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: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -966.709512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.709512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.709512 (E_RNA)
where:
Base-Base interactions energy: -662.843
where: short stacking energy: -290.860
Base-Backbone interact. energy: -0.798
local terms energy: -303.069049
where:
bonds (distance) C4'-P energy: -56.509
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -88.877
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: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -938.230715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.230715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.230715 (E_RNA)
where:
Base-Base interactions energy: -661.417
where: short stacking energy: -288.924
Base-Backbone interact. energy: -0.496
local terms energy: -276.317408
where:
bonds (distance) C4'-P energy: -45.990
bonds (distance) P-C4' energy: -44.901
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: -84.152
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: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -838.794084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.794084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.794084 (E_RNA)
where:
Base-Base interactions energy: -572.713
where: short stacking energy: -245.278
Base-Backbone interact. energy: -0.609
local terms energy: -265.472336
where:
bonds (distance) C4'-P energy: -39.674
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -59.103
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -70.483
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -842.376423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.376423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.376423 (E_RNA)
where:
Base-Base interactions energy: -579.361
where: short stacking energy: -240.120
Base-Backbone interact. energy: -0.512
local terms energy: -262.503129
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -49.943
flat angles C4'-P-C4' energy: -55.450
flat angles P-C4'-P energy: -39.395
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: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -814.311301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.311301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.311301 (E_RNA)
where:
Base-Base interactions energy: -546.290
where: short stacking energy: -231.926
Base-Backbone interact. energy: 0.061
local terms energy: -268.081474
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -44.309
flat angles C4'-P-C4' energy: -63.769
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -70.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -753.612628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.612628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.612628 (E_RNA)
where:
Base-Base interactions energy: -505.802
where: short stacking energy: -215.618
Base-Backbone interact. energy: -0.512
local terms energy: -247.298367
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -57.211
flat angles P-C4'-P energy: -40.851
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -753.906657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.906657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.906657 (E_RNA)
where:
Base-Base interactions energy: -522.760
where: short stacking energy: -224.133
Base-Backbone interact. energy: -0.560
local terms energy: -230.586032
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -33.050
tors. eta vs tors. theta energy: -55.331
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: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -599.984246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.984246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.984246 (E_RNA)
where:
Base-Base interactions energy: -404.125
where: short stacking energy: -187.405
Base-Backbone interact. energy: -1.182
local terms energy: -194.677080
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -39.884
flat angles C4'-P-C4' energy: -46.400
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -41.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -415.151811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.151811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.151811 (E_RNA)
where:
Base-Base interactions energy: -246.344
where: short stacking energy: -110.287
Base-Backbone interact. energy: 2.564
local terms energy: -171.372432
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -40.413
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -232.936968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.936968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.936968 (E_RNA)
where:
Base-Base interactions energy: -80.942
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.710
local terms energy: -151.284718
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -42.160
flat angles C4'-P-C4' energy: -43.261
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: 6.601
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: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -955.814294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.814294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.814294 (E_RNA)
where:
Base-Base interactions energy: -659.769
where: short stacking energy: -294.843
Base-Backbone interact. energy: -0.116
local terms energy: -295.929872
where:
bonds (distance) C4'-P energy: -47.064
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -62.259
flat angles P-C4'-P energy: -45.065
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: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -948.396608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.396608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.396608 (E_RNA)
where:
Base-Base interactions energy: -646.624
where: short stacking energy: -287.186
Base-Backbone interact. energy: 2.519
local terms energy: -304.291473
where:
bonds (distance) C4'-P energy: -49.925
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -67.684
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -89.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -899.095320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.095320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.095320 (E_RNA)
where:
Base-Base interactions energy: -622.989
where: short stacking energy: -269.174
Base-Backbone interact. energy: -0.631
local terms energy: -275.475418
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -57.927
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -77.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -807.645412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.645412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.645412 (E_RNA)
where:
Base-Base interactions energy: -544.707
where: short stacking energy: -223.295
Base-Backbone interact. energy: -0.730
local terms energy: -262.207532
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -52.135
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -56.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -799.971391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.971391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.971391 (E_RNA)
where:
Base-Base interactions energy: -536.984
where: short stacking energy: -226.909
Base-Backbone interact. energy: 0.191
local terms energy: -263.178900
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -54.750
flat angles P-C4'-P energy: -41.584
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: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -766.372250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.372250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.372250 (E_RNA)
where:
Base-Base interactions energy: -516.719
where: short stacking energy: -236.253
Base-Backbone interact. energy: 5.548
local terms energy: -255.201313
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -52.652
flat angles C4'-P-C4' energy: -59.297
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: -59.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -742.830504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.830504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.830504 (E_RNA)
where:
Base-Base interactions energy: -513.183
where: short stacking energy: -220.352
Base-Backbone interact. energy: 2.280
local terms energy: -231.928369
where:
bonds (distance) C4'-P energy: -40.691
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -50.000
flat angles P-C4'-P energy: -30.792
tors. eta vs tors. theta energy: -63.349
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: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -629.912550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.912550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.912550 (E_RNA)
where:
Base-Base interactions energy: -424.645
where: short stacking energy: -179.018
Base-Backbone interact. energy: -2.592
local terms energy: -202.675489
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -38.971
flat angles C4'-P-C4' energy: -49.847
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -34.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -417.235122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.235122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.235122 (E_RNA)
where:
Base-Base interactions energy: -231.103
where: short stacking energy: -113.348
Base-Backbone interact. energy: -1.240
local terms energy: -184.891997
where:
bonds (distance) C4'-P energy: -44.479
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -18.059
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: 264
Temperature: 1.350000
Total energy: -243.880219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.880219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.880219 (E_RNA)
where:
Base-Base interactions energy: -81.430
where: short stacking energy: -66.944
Base-Backbone interact. energy: -1.867
local terms energy: -160.582725
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: 5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -966.956971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.956971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.956971 (E_RNA)
where:
Base-Base interactions energy: -651.244
where: short stacking energy: -298.976
Base-Backbone interact. energy: -0.034
local terms energy: -315.678833
where:
bonds (distance) C4'-P energy: -59.895
bonds (distance) P-C4' energy: -55.203
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -90.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -952.141608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.141608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.141608 (E_RNA)
where:
Base-Base interactions energy: -653.601
where: short stacking energy: -275.201
Base-Backbone interact. energy: -1.498
local terms energy: -297.043087
where:
bonds (distance) C4'-P energy: -54.766
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -59.697
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -84.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -871.005364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.005364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.005364 (E_RNA)
where:
Base-Base interactions energy: -614.232
where: short stacking energy: -267.119
Base-Backbone interact. energy: 0.802
local terms energy: -257.575539
where:
bonds (distance) C4'-P energy: -41.526
bonds (distance) P-C4' energy: -51.703
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -39.547
tors. eta vs tors. theta energy: -73.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -832.062634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.062634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.062634 (E_RNA)
where:
Base-Base interactions energy: -560.239
where: short stacking energy: -237.873
Base-Backbone interact. energy: -0.469
local terms energy: -271.354402
where:
bonds (distance) C4'-P energy: -54.018
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -54.340
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -70.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -814.623585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.623585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.623585 (E_RNA)
where:
Base-Base interactions energy: -567.697
where: short stacking energy: -229.780
Base-Backbone interact. energy: 0.572
local terms energy: -247.498698
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -68.874
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -789.543315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.543315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.543315 (E_RNA)
where:
Base-Base interactions energy: -526.976
where: short stacking energy: -224.441
Base-Backbone interact. energy: -1.598
local terms energy: -260.968469
where:
bonds (distance) C4'-P energy: -39.071
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -62.923
flat angles P-C4'-P energy: -32.240
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: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -739.928754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.928754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.928754 (E_RNA)
where:
Base-Base interactions energy: -516.764
where: short stacking energy: -213.077
Base-Backbone interact. energy: 4.987
local terms energy: -228.152196
where:
bonds (distance) C4'-P energy: -48.651
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -43.765
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -53.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -633.015835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.015835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.015835 (E_RNA)
where:
Base-Base interactions energy: -428.322
where: short stacking energy: -166.222
Base-Backbone interact. energy: -1.390
local terms energy: -203.304394
where:
bonds (distance) C4'-P energy: -41.525
bonds (distance) P-C4' energy: -43.328
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -34.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -402.812593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.812593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.812593 (E_RNA)
where:
Base-Base interactions energy: -233.147
where: short stacking energy: -105.298
Base-Backbone interact. energy: -0.851
local terms energy: -168.814293
where:
bonds (distance) C4'-P energy: -33.364
bonds (distance) P-C4' energy: -54.689
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -246.929473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.929473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.929473 (E_RNA)
where:
Base-Base interactions energy: -97.521
where: short stacking energy: -80.958
Base-Backbone interact. energy: 3.240
local terms energy: -152.648185
where:
bonds (distance) C4'-P energy: -46.355
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -11.952
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: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -977.878420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.878420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.878420 (E_RNA)
where:
Base-Base interactions energy: -667.825
where: short stacking energy: -293.091
Base-Backbone interact. energy: -2.256
local terms energy: -307.797190
where:
bonds (distance) C4'-P energy: -58.914
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -91.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -948.879462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.879462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.879462 (E_RNA)
where:
Base-Base interactions energy: -640.580
where: short stacking energy: -284.280
Base-Backbone interact. energy: -0.260
local terms energy: -308.039091
where:
bonds (distance) C4'-P energy: -56.699
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -63.865
flat angles P-C4'-P energy: -40.086
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: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -888.913651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.913651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.913651 (E_RNA)
where:
Base-Base interactions energy: -611.561
where: short stacking energy: -254.572
Base-Backbone interact. energy: -0.924
local terms energy: -276.428938
where:
bonds (distance) C4'-P energy: -59.183
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -55.649
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: -74.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -837.413130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.413130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.413130 (E_RNA)
where:
Base-Base interactions energy: -570.453
where: short stacking energy: -235.714
Base-Backbone interact. energy: -0.662
local terms energy: -266.298315
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -51.946
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -67.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -822.815794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.815794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.815794 (E_RNA)
where:
Base-Base interactions energy: -573.144
where: short stacking energy: -234.256
Base-Backbone interact. energy: -0.252
local terms energy: -249.420080
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -50.883
flat angles P-C4'-P energy: -35.007
tors. eta vs tors. theta energy: -65.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -803.646274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.646274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.646274 (E_RNA)
where:
Base-Base interactions energy: -553.520
where: short stacking energy: -242.631
Base-Backbone interact. energy: -1.129
local terms energy: -248.997737
where:
bonds (distance) C4'-P energy: -48.801
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -32.795
tors. eta vs tors. theta energy: -71.786
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: 266
Temperature: 1.200000
Total energy: -758.526719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.526719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.526719 (E_RNA)
where:
Base-Base interactions energy: -528.748
where: short stacking energy: -222.338
Base-Backbone interact. energy: 1.042
local terms energy: -230.821155
where:
bonds (distance) C4'-P energy: -45.198
bonds (distance) P-C4' energy: -41.553
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -58.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -606.950095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.950095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.950095 (E_RNA)
where:
Base-Base interactions energy: -409.127
where: short stacking energy: -168.028
Base-Backbone interact. energy: -2.111
local terms energy: -195.711346
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -32.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -394.124761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.124761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.124761 (E_RNA)
where:
Base-Base interactions energy: -218.031
where: short stacking energy: -119.683
Base-Backbone interact. energy: 1.110
local terms energy: -177.203500
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -40.508
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -233.829565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829565 (E_RNA)
where:
Base-Base interactions energy: -93.579
where: short stacking energy: -72.427
Base-Backbone interact. energy: -1.253
local terms energy: -138.997913
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: 2.760
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: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -966.079267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.079267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.079267 (E_RNA)
where:
Base-Base interactions energy: -668.091
where: short stacking energy: -278.412
Base-Backbone interact. energy: -0.832
local terms energy: -297.156027
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -62.479
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -88.698
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: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -934.243537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.243537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.243537 (E_RNA)
where:
Base-Base interactions energy: -631.355
where: short stacking energy: -277.027
Base-Backbone interact. energy: -1.879
local terms energy: -301.009512
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -63.260
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -88.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -867.423517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.423517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.423517 (E_RNA)
where:
Base-Base interactions energy: -595.680
where: short stacking energy: -238.562
Base-Backbone interact. energy: 2.166
local terms energy: -273.908871
where:
bonds (distance) C4'-P energy: -58.931
bonds (distance) P-C4' energy: -52.524
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -38.317
tors. eta vs tors. theta energy: -69.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -834.090183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.090183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.090183 (E_RNA)
where:
Base-Base interactions energy: -568.925
where: short stacking energy: -234.876
Base-Backbone interact. energy: -0.333
local terms energy: -264.831784
where:
bonds (distance) C4'-P energy: -39.706
bonds (distance) P-C4' energy: -53.262
flat angles C4'-P-C4' energy: -63.327
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -72.409
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: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -838.564985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.564985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.564985 (E_RNA)
where:
Base-Base interactions energy: -576.517
where: short stacking energy: -247.018
Base-Backbone interact. energy: -0.575
local terms energy: -261.472761
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -41.969
tors. eta vs tors. theta energy: -75.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -797.682530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.682530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.682530 (E_RNA)
where:
Base-Base interactions energy: -555.447
where: short stacking energy: -246.282
Base-Backbone interact. energy: -1.936
local terms energy: -240.299102
where:
bonds (distance) C4'-P energy: -46.556
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -48.271
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -63.223
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: 267
Temperature: 1.200000
Total energy: -735.788495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.788495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.788495 (E_RNA)
where:
Base-Base interactions energy: -518.544
where: short stacking energy: -226.108
Base-Backbone interact. energy: -0.713
local terms energy: -216.531831
where:
bonds (distance) C4'-P energy: -35.834
bonds (distance) P-C4' energy: -48.835
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: -56.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -615.763278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.763278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.763278 (E_RNA)
where:
Base-Base interactions energy: -413.666
where: short stacking energy: -161.325
Base-Backbone interact. energy: -2.644
local terms energy: -199.452946
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -32.559
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -412.639250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.639250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.639250 (E_RNA)
where:
Base-Base interactions energy: -237.853
where: short stacking energy: -116.612
Base-Backbone interact. energy: 1.958
local terms energy: -176.745049
where:
bonds (distance) C4'-P energy: -54.701
bonds (distance) P-C4' energy: -41.579
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -225.078598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.078598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.078598 (E_RNA)
where:
Base-Base interactions energy: -64.423
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.887
local terms energy: -159.768808
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -44.164
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -957.414386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.414386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.414386 (E_RNA)
where:
Base-Base interactions energy: -664.039
where: short stacking energy: -282.423
Base-Backbone interact. energy: -1.247
local terms energy: -292.128428
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -61.885
flat angles P-C4'-P energy: -42.903
tors. eta vs tors. theta energy: -88.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -949.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.571672 (E_RNA)
where:
Base-Base interactions energy: -662.752
where: short stacking energy: -294.097
Base-Backbone interact. energy: 2.947
local terms energy: -289.766597
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -57.110
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -89.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -897.466880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.466880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.466880 (E_RNA)
where:
Base-Base interactions energy: -625.009
where: short stacking energy: -269.186
Base-Backbone interact. energy: 2.797
local terms energy: -275.255353
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -54.928
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: -79.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -840.117340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.117340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.117340 (E_RNA)
where:
Base-Base interactions energy: -599.252
where: short stacking energy: -246.419
Base-Backbone interact. energy: 0.188
local terms energy: -241.053457
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -56.807
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -61.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -815.668288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.668288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.668288 (E_RNA)
where:
Base-Base interactions energy: -545.652
where: short stacking energy: -238.387
Base-Backbone interact. energy: -0.142
local terms energy: -269.874783
where:
bonds (distance) C4'-P energy: -49.646
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -61.257
flat angles P-C4'-P energy: -37.423
tors. eta vs tors. theta energy: -74.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -811.825943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.825943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.825943 (E_RNA)
where:
Base-Base interactions energy: -556.738
where: short stacking energy: -227.192
Base-Backbone interact. energy: 1.077
local terms energy: -256.165205
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -57.375
flat angles C4'-P-C4' energy: -51.117
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -67.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -731.488726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.488726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.488726 (E_RNA)
where:
Base-Base interactions energy: -499.198
where: short stacking energy: -212.711
Base-Backbone interact. energy: -0.262
local terms energy: -232.028635
where:
bonds (distance) C4'-P energy: -48.518
bonds (distance) P-C4' energy: -43.391
flat angles C4'-P-C4' energy: -52.001
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -48.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -637.115757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.115757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.115757 (E_RNA)
where:
Base-Base interactions energy: -424.902
where: short stacking energy: -177.619
Base-Backbone interact. energy: -0.676
local terms energy: -211.537689
where:
bonds (distance) C4'-P energy: -43.082
bonds (distance) P-C4' energy: -44.532
flat angles C4'-P-C4' energy: -41.972
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -42.636
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -429.421213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.421213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.421213 (E_RNA)
where:
Base-Base interactions energy: -259.008
where: short stacking energy: -136.883
Base-Backbone interact. energy: -0.492
local terms energy: -169.920859
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -33.668
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -27.448
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: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -228.808479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.808479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.808479 (E_RNA)
where:
Base-Base interactions energy: -78.597
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.059
local terms energy: -150.153385
where:
bonds (distance) C4'-P energy: -36.106
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -38.781
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -972.129197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.129197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.129197 (E_RNA)
where:
Base-Base interactions energy: -666.493
where: short stacking energy: -287.094
Base-Backbone interact. energy: -0.513
local terms energy: -305.123499
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -60.340
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -86.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -951.525964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.525964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.525964 (E_RNA)
where:
Base-Base interactions energy: -656.528
where: short stacking energy: -285.899
Base-Backbone interact. energy: -0.097
local terms energy: -294.900916
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -59.468
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -80.469
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: 269
Temperature: 1.000000
Total energy: -890.003269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.003269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.003269 (E_RNA)
where:
Base-Base interactions energy: -613.945
where: short stacking energy: -263.665
Base-Backbone interact. energy: -1.362
local terms energy: -274.696372
where:
bonds (distance) C4'-P energy: -50.761
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -76.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -857.931286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.931286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.931286 (E_RNA)
where:
Base-Base interactions energy: -605.616
where: short stacking energy: -254.207
Base-Backbone interact. energy: -0.210
local terms energy: -252.105943
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -40.565
flat angles C4'-P-C4' energy: -62.727
flat angles P-C4'-P energy: -36.007
tors. eta vs tors. theta energy: -78.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -815.323938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.323938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.323938 (E_RNA)
where:
Base-Base interactions energy: -546.065
where: short stacking energy: -243.812
Base-Backbone interact. energy: -0.868
local terms energy: -268.391178
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -56.966
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -73.685
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: 269
Temperature: 1.150000
Total energy: -825.014748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.014748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.014748 (E_RNA)
where:
Base-Base interactions energy: -573.192
where: short stacking energy: -238.125
Base-Backbone interact. energy: -0.693
local terms energy: -251.129730
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -54.023
flat angles P-C4'-P energy: -30.410
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: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -727.735804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.735804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.735804 (E_RNA)
where:
Base-Base interactions energy: -507.728
where: short stacking energy: -210.819
Base-Backbone interact. energy: -0.557
local terms energy: -219.450776
where:
bonds (distance) C4'-P energy: -41.130
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -49.297
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -49.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -641.009310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.009310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.009310 (E_RNA)
where:
Base-Base interactions energy: -433.148
where: short stacking energy: -183.844
Base-Backbone interact. energy: -0.587
local terms energy: -207.274545
where:
bonds (distance) C4'-P energy: -32.102
bonds (distance) P-C4' energy: -45.394
flat angles C4'-P-C4' energy: -54.304
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -46.133
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -394.208615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.208615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.208615 (E_RNA)
where:
Base-Base interactions energy: -228.164
where: short stacking energy: -107.977
Base-Backbone interact. energy: 3.931
local terms energy: -169.975035
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -43.267
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -16.913
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -213.396280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.396280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.396280 (E_RNA)
where:
Base-Base interactions energy: -72.881
where: short stacking energy: -63.784
Base-Backbone interact. energy: 0.229
local terms energy: -140.744635
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -37.503
flat angles P-C4'-P energy: -25.986
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: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -967.874920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.874920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.874920 (E_RNA)
where:
Base-Base interactions energy: -674.661
where: short stacking energy: -278.320
Base-Backbone interact. energy: -0.569
local terms energy: -292.645151
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -54.606
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -88.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -940.721328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.721328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.721328 (E_RNA)
where:
Base-Base interactions energy: -645.401
where: short stacking energy: -277.152
Base-Backbone interact. energy: -1.340
local terms energy: -293.980680
where:
bonds (distance) C4'-P energy: -53.609
bonds (distance) P-C4' energy: -52.039
flat angles C4'-P-C4' energy: -64.363
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -83.111
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: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -901.443705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.443705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.443705 (E_RNA)
where:
Base-Base interactions energy: -609.083
where: short stacking energy: -257.352
Base-Backbone interact. energy: -0.811
local terms energy: -291.549900
where:
bonds (distance) C4'-P energy: -58.100
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -59.394
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -76.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -860.273755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.273755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.273755 (E_RNA)
where:
Base-Base interactions energy: -596.084
where: short stacking energy: -257.745
Base-Backbone interact. energy: 1.444
local terms energy: -265.633317
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -58.632
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -68.043
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: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -852.734362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.734362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.734362 (E_RNA)
where:
Base-Base interactions energy: -590.057
where: short stacking energy: -243.797
Base-Backbone interact. energy: -1.798
local terms energy: -260.878797
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -51.146
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -74.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -768.198297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.198297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.198297 (E_RNA)
where:
Base-Base interactions energy: -507.995
where: short stacking energy: -208.865
Base-Backbone interact. energy: -1.208
local terms energy: -258.995410
where:
bonds (distance) C4'-P energy: -42.344
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -56.473
flat angles P-C4'-P energy: -41.339
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: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -750.954086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.954086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.954086 (E_RNA)
where:
Base-Base interactions energy: -511.524
where: short stacking energy: -220.904
Base-Backbone interact. energy: 0.783
local terms energy: -240.213141
where:
bonds (distance) C4'-P energy: -43.929
bonds (distance) P-C4' energy: -47.174
flat angles C4'-P-C4' energy: -51.311
flat angles P-C4'-P energy: -41.039
tors. eta vs tors. theta energy: -56.761
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: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -666.071214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.071214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.071214 (E_RNA)
where:
Base-Base interactions energy: -463.766
where: short stacking energy: -177.341
Base-Backbone interact. energy: -0.815
local terms energy: -201.489444
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -47.228
flat angles P-C4'-P energy: -33.958
tors. eta vs tors. theta energy: -41.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -409.794683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.794683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.794683 (E_RNA)
where:
Base-Base interactions energy: -240.944
where: short stacking energy: -128.503
Base-Backbone interact. energy: 0.306
local terms energy: -169.156316
where:
bonds (distance) C4'-P energy: -46.511
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -42.003
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -225.877404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.877404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877404 (E_RNA)
where:
Base-Base interactions energy: -67.935
where: short stacking energy: -61.136
Base-Backbone interact. energy: -1.717
local terms energy: -156.224555
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -49.284
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -38.688
tors. eta vs tors. theta energy: 11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -973.122434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.122434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.122434 (E_RNA)
where:
Base-Base interactions energy: -675.283
where: short stacking energy: -290.136
Base-Backbone interact. energy: 0.086
local terms energy: -297.925106
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -57.772
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: -91.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -931.502888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.502888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.502888 (E_RNA)
where:
Base-Base interactions energy: -633.636
where: short stacking energy: -277.610
Base-Backbone interact. energy: -0.679
local terms energy: -297.188034
where:
bonds (distance) C4'-P energy: -63.794
bonds (distance) P-C4' energy: -48.645
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -83.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -884.415595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.415595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.415595 (E_RNA)
where:
Base-Base interactions energy: -597.012
where: short stacking energy: -248.550
Base-Backbone interact. energy: -0.538
local terms energy: -286.865079
where:
bonds (distance) C4'-P energy: -48.106
bonds (distance) P-C4' energy: -57.087
flat angles C4'-P-C4' energy: -63.689
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -70.891
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -884.790760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.790760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.790760 (E_RNA)
where:
Base-Base interactions energy: -603.198
where: short stacking energy: -261.412
Base-Backbone interact. energy: -1.098
local terms energy: -280.494144
where:
bonds (distance) C4'-P energy: -40.578
bonds (distance) P-C4' energy: -58.486
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: -82.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -862.284317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.284317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.284317 (E_RNA)
where:
Base-Base interactions energy: -599.433
where: short stacking energy: -255.824
Base-Backbone interact. energy: 0.635
local terms energy: -263.487031
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -75.248
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: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -756.412956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.412956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.412956 (E_RNA)
where:
Base-Base interactions energy: -521.618
where: short stacking energy: -210.531
Base-Backbone interact. energy: 1.315
local terms energy: -236.109772
where:
bonds (distance) C4'-P energy: -36.486
bonds (distance) P-C4' energy: -50.587
flat angles C4'-P-C4' energy: -57.444
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -55.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -754.817360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.817360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.817360 (E_RNA)
where:
Base-Base interactions energy: -506.554
where: short stacking energy: -218.335
Base-Backbone interact. energy: -0.644
local terms energy: -247.619494
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -34.005
tors. eta vs tors. theta energy: -61.634
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -645.588288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.588288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.588288 (E_RNA)
where:
Base-Base interactions energy: -424.015
where: short stacking energy: -180.652
Base-Backbone interact. energy: -0.755
local terms energy: -220.817871
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -45.868
flat angles C4'-P-C4' energy: -43.459
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -47.335
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: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -429.391770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.391770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.391770 (E_RNA)
where:
Base-Base interactions energy: -229.335
where: short stacking energy: -117.260
Base-Backbone interact. energy: -1.842
local terms energy: -198.214885
where:
bonds (distance) C4'-P energy: -44.869
bonds (distance) P-C4' energy: -45.145
flat angles C4'-P-C4' energy: -52.317
flat angles P-C4'-P energy: -30.929
tors. eta vs tors. theta energy: -24.955
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: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -267.133878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.133878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.133878 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -79.645
Base-Backbone interact. energy: 0.118
local terms energy: -154.605712
where:
bonds (distance) C4'-P energy: -48.847
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -4.719
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -956.093558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.093558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.093558 (E_RNA)
where:
Base-Base interactions energy: -659.606
where: short stacking energy: -278.929
Base-Backbone interact. energy: -0.746
local terms energy: -295.741326
where:
bonds (distance) C4'-P energy: -54.356
bonds (distance) P-C4' energy: -55.602
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -84.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -941.661163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.661163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.661163 (E_RNA)
where:
Base-Base interactions energy: -652.418
where: short stacking energy: -279.430
Base-Backbone interact. energy: -0.109
local terms energy: -289.133957
where:
bonds (distance) C4'-P energy: -40.590
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -67.620
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -80.286
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: 272
Temperature: 1.000000
Total energy: -907.635755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.635755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.635755 (E_RNA)
where:
Base-Base interactions energy: -611.994
where: short stacking energy: -267.873
Base-Backbone interact. energy: -1.264
local terms energy: -294.377986
where:
bonds (distance) C4'-P energy: -51.790
bonds (distance) P-C4' energy: -56.460
flat angles C4'-P-C4' energy: -64.210
flat angles P-C4'-P energy: -34.586
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: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -869.905237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.905237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.905237 (E_RNA)
where:
Base-Base interactions energy: -599.051
where: short stacking energy: -262.861
Base-Backbone interact. energy: 2.821
local terms energy: -273.675024
where:
bonds (distance) C4'-P energy: -55.010
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -69.914
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: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -786.009142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.009142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.009142 (E_RNA)
where:
Base-Base interactions energy: -529.766
where: short stacking energy: -222.394
Base-Backbone interact. energy: -0.121
local terms energy: -256.122468
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -45.377
flat angles C4'-P-C4' energy: -52.244
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -60.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -755.956098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.956098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.956098 (E_RNA)
where:
Base-Base interactions energy: -526.185
where: short stacking energy: -215.826
Base-Backbone interact. energy: -2.153
local terms energy: -227.618578
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -38.398
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -31.362
tors. eta vs tors. theta energy: -60.887
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: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -769.742918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.742918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.742918 (E_RNA)
where:
Base-Base interactions energy: -523.003
where: short stacking energy: -231.472
Base-Backbone interact. energy: -0.716
local terms energy: -246.024337
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -51.769
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -56.622
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: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -708.918244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.918244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.918244 (E_RNA)
where:
Base-Base interactions energy: -479.770
where: short stacking energy: -188.642
Base-Backbone interact. energy: -0.613
local terms energy: -228.534721
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -48.652
flat angles C4'-P-C4' energy: -50.740
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -51.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -412.302199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.302199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.302199 (E_RNA)
where:
Base-Base interactions energy: -241.660
where: short stacking energy: -140.745
Base-Backbone interact. energy: 2.918
local terms energy: -173.560021
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -43.837
flat angles C4'-P-C4' energy: -46.737
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -31.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -236.824080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.824080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.824080 (E_RNA)
where:
Base-Base interactions energy: -111.361
where: short stacking energy: -64.981
Base-Backbone interact. energy: 3.698
local terms energy: -129.161398
where:
bonds (distance) C4'-P energy: -45.655
bonds (distance) P-C4' energy: -39.959
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -31.059
tors. eta vs tors. theta energy: 7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -978.618854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.618854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.618854 (E_RNA)
where:
Base-Base interactions energy: -660.700
where: short stacking energy: -282.742
Base-Backbone interact. energy: -0.905
local terms energy: -317.013954
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -57.553
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -49.143
tors. eta vs tors. theta energy: -90.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -916.119880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.119880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.119880 (E_RNA)
where:
Base-Base interactions energy: -632.901
where: short stacking energy: -276.327
Base-Backbone interact. energy: -0.457
local terms energy: -282.761968
where:
bonds (distance) C4'-P energy: -54.690
bonds (distance) P-C4' energy: -50.148
flat angles C4'-P-C4' energy: -56.018
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: -86.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -935.346193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.346193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.346193 (E_RNA)
where:
Base-Base interactions energy: -660.942
where: short stacking energy: -291.627
Base-Backbone interact. energy: -0.365
local terms energy: -274.039151
where:
bonds (distance) C4'-P energy: -47.227
bonds (distance) P-C4' energy: -47.844
flat angles C4'-P-C4' energy: -60.529
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -79.884
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: 273
Temperature: 1.050000
Total energy: -876.109236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.109236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.109236 (E_RNA)
where:
Base-Base interactions energy: -598.920
where: short stacking energy: -253.257
Base-Backbone interact. energy: 0.729
local terms energy: -277.918573
where:
bonds (distance) C4'-P energy: -50.980
bonds (distance) P-C4' energy: -57.472
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -74.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -827.397543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.397543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.397543 (E_RNA)
where:
Base-Base interactions energy: -577.433
where: short stacking energy: -226.937
Base-Backbone interact. energy: -0.541
local terms energy: -249.423662
where:
bonds (distance) C4'-P energy: -41.853
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -57.412
flat angles P-C4'-P energy: -35.843
tors. eta vs tors. theta energy: -65.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -798.743918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.743918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.743918 (E_RNA)
where:
Base-Base interactions energy: -534.423
where: short stacking energy: -229.927
Base-Backbone interact. energy: -1.957
local terms energy: -262.363338
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -58.387
flat angles C4'-P-C4' energy: -56.744
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -63.933
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: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -727.131431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.131431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.131431 (E_RNA)
where:
Base-Base interactions energy: -498.070
where: short stacking energy: -202.858
Base-Backbone interact. energy: -1.100
local terms energy: -227.961446
where:
bonds (distance) C4'-P energy: -38.300
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -61.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -689.217504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.217504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.217504 (E_RNA)
where:
Base-Base interactions energy: -464.373
where: short stacking energy: -200.414
Base-Backbone interact. energy: -0.730
local terms energy: -224.114866
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -50.894
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -53.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -416.372587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.372587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.372587 (E_RNA)
where:
Base-Base interactions energy: -243.130
where: short stacking energy: -123.475
Base-Backbone interact. energy: 1.091
local terms energy: -174.333266
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -38.656
flat angles C4'-P-C4' energy: -46.306
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -357.493432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.493432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.493432 (E_RNA)
where:
Base-Base interactions energy: -188.509
where: short stacking energy: -96.500
Base-Backbone interact. energy: 4.986
local terms energy: -173.970430
where:
bonds (distance) C4'-P energy: -43.200
bonds (distance) P-C4' energy: -38.697
flat angles C4'-P-C4' energy: -52.022
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -968.033360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.033360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.033360 (E_RNA)
where:
Base-Base interactions energy: -677.100
where: short stacking energy: -292.667
Base-Backbone interact. energy: -0.265
local terms energy: -290.668614
where:
bonds (distance) C4'-P energy: -44.676
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -90.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -921.039218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.039218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.039218 (E_RNA)
where:
Base-Base interactions energy: -619.685
where: short stacking energy: -269.873
Base-Backbone interact. energy: -0.840
local terms energy: -300.514195
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -61.184
flat angles C4'-P-C4' energy: -55.971
flat angles P-C4'-P energy: -44.907
tors. eta vs tors. theta energy: -84.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -927.290058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.290058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.290058 (E_RNA)
where:
Base-Base interactions energy: -652.248
where: short stacking energy: -275.421
Base-Backbone interact. energy: -0.567
local terms energy: -274.475383
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -58.359
flat angles P-C4'-P energy: -42.466
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: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -864.810610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.810610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.810610 (E_RNA)
where:
Base-Base interactions energy: -588.167
where: short stacking energy: -252.217
Base-Backbone interact. energy: -0.812
local terms energy: -275.830886
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -49.782
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -75.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -820.605410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.605410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.605410 (E_RNA)
where:
Base-Base interactions energy: -576.859
where: short stacking energy: -248.674
Base-Backbone interact. energy: 1.183
local terms energy: -244.929115
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -72.401
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: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -787.714007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.714007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.714007 (E_RNA)
where:
Base-Base interactions energy: -547.858
where: short stacking energy: -237.397
Base-Backbone interact. energy: -0.322
local terms energy: -239.533555
where:
bonds (distance) C4'-P energy: -49.071
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -54.101
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -67.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -722.359137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.359137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.359137 (E_RNA)
where:
Base-Base interactions energy: -502.755
where: short stacking energy: -199.157
Base-Backbone interact. energy: 1.098
local terms energy: -220.702605
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -42.319
flat angles C4'-P-C4' energy: -41.944
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -61.009
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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -643.288576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.288576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.288576 (E_RNA)
where:
Base-Base interactions energy: -438.547
where: short stacking energy: -191.056
Base-Backbone interact. energy: -0.441
local terms energy: -204.300499
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -41.963
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -441.915641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.915641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.915641 (E_RNA)
where:
Base-Base interactions energy: -249.398
where: short stacking energy: -125.125
Base-Backbone interact. energy: -1.113
local terms energy: -191.404830
where:
bonds (distance) C4'-P energy: -50.860
bonds (distance) P-C4' energy: -49.802
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -305.761477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.761477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.761477 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -84.033
Base-Backbone interact. energy: 0.902
local terms energy: -161.095608
where:
bonds (distance) C4'-P energy: -45.499
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -953.976124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.976124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.976124 (E_RNA)
where:
Base-Base interactions energy: -645.079
where: short stacking energy: -272.300
Base-Backbone interact. energy: -1.381
local terms energy: -307.515431
where:
bonds (distance) C4'-P energy: -57.722
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -65.574
flat angles P-C4'-P energy: -43.943
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: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -937.063560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.063560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.063560 (E_RNA)
where:
Base-Base interactions energy: -650.100
where: short stacking energy: -285.432
Base-Backbone interact. energy: -1.599
local terms energy: -285.363873
where:
bonds (distance) C4'-P energy: -49.325
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -67.371
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -86.130
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: 275
Temperature: 1.000000
Total energy: -894.641266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.641266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.641266 (E_RNA)
where:
Base-Base interactions energy: -606.077
where: short stacking energy: -282.950
Base-Backbone interact. energy: -0.860
local terms energy: -287.704539
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -55.934
flat angles C4'-P-C4' energy: -62.646
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -86.378
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: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -860.216483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.216483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.216483 (E_RNA)
where:
Base-Base interactions energy: -591.944
where: short stacking energy: -263.354
Base-Backbone interact. energy: 0.227
local terms energy: -268.499800
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -41.826
tors. eta vs tors. theta energy: -77.159
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: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -801.344700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.344700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.344700 (E_RNA)
where:
Base-Base interactions energy: -536.786
where: short stacking energy: -232.587
Base-Backbone interact. energy: -0.115
local terms energy: -264.443822
where:
bonds (distance) C4'-P energy: -42.247
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -60.288
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -77.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -758.590396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.590396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.590396 (E_RNA)
where:
Base-Base interactions energy: -530.247
where: short stacking energy: -230.966
Base-Backbone interact. energy: -0.383
local terms energy: -227.960762
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -44.938
flat angles C4'-P-C4' energy: -49.995
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -65.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -752.801347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.801347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.801347 (E_RNA)
where:
Base-Base interactions energy: -515.365
where: short stacking energy: -221.502
Base-Backbone interact. energy: -2.208
local terms energy: -235.228045
where:
bonds (distance) C4'-P energy: -41.640
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -49.261
flat angles P-C4'-P energy: -38.471
tors. eta vs tors. theta energy: -62.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -602.815648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.815648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.815648 (E_RNA)
where:
Base-Base interactions energy: -403.225
where: short stacking energy: -164.295
Base-Backbone interact. energy: 0.037
local terms energy: -199.627543
where:
bonds (distance) C4'-P energy: -52.608
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -41.263
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -40.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -436.377401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.377401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.377401 (E_RNA)
where:
Base-Base interactions energy: -233.390
where: short stacking energy: -108.907
Base-Backbone interact. energy: -0.655
local terms energy: -202.332719
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -47.506
flat angles C4'-P-C4' energy: -55.968
flat angles P-C4'-P energy: -30.950
tors. eta vs tors. theta energy: -19.453
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: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -288.347241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.347241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.347241 (E_RNA)
where:
Base-Base interactions energy: -139.850
where: short stacking energy: -85.619
Base-Backbone interact. energy: 3.661
local terms energy: -152.158620
where:
bonds (distance) C4'-P energy: -48.558
bonds (distance) P-C4' energy: -35.729
flat angles C4'-P-C4' energy: -39.072
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -968.336105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.336105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.336105 (E_RNA)
where:
Base-Base interactions energy: -671.549
where: short stacking energy: -291.348
Base-Backbone interact. energy: 0.104
local terms energy: -296.891487
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -65.210
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -89.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -947.390244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.390244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.390244 (E_RNA)
where:
Base-Base interactions energy: -653.735
where: short stacking energy: -294.238
Base-Backbone interact. energy: -0.104
local terms energy: -293.551247
where:
bonds (distance) C4'-P energy: -49.636
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -90.053
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: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -906.234552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.234552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.234552 (E_RNA)
where:
Base-Base interactions energy: -623.670
where: short stacking energy: -275.141
Base-Backbone interact. energy: -1.638
local terms energy: -280.926231
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -56.899
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -84.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -859.653135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.653135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.653135 (E_RNA)
where:
Base-Base interactions energy: -587.483
where: short stacking energy: -259.909
Base-Backbone interact. energy: -0.439
local terms energy: -271.731933
where:
bonds (distance) C4'-P energy: -43.851
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -70.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -829.881307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.881307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.881307 (E_RNA)
where:
Base-Base interactions energy: -562.803
where: short stacking energy: -246.940
Base-Backbone interact. energy: -0.504
local terms energy: -266.574759
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -71.745
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: 276
Temperature: 1.150000
Total energy: -778.259042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.259042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.259042 (E_RNA)
where:
Base-Base interactions energy: -544.878
where: short stacking energy: -238.541
Base-Backbone interact. energy: -0.554
local terms energy: -232.827337
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -46.240
flat angles P-C4'-P energy: -42.856
tors. eta vs tors. theta energy: -67.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -745.950311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.950311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.950311 (E_RNA)
where:
Base-Base interactions energy: -507.907
where: short stacking energy: -221.271
Base-Backbone interact. energy: 3.625
local terms energy: -241.668427
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -45.519
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -65.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -671.674266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.674266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.674266 (E_RNA)
where:
Base-Base interactions energy: -443.948
where: short stacking energy: -189.756
Base-Backbone interact. energy: -0.843
local terms energy: -226.883815
where:
bonds (distance) C4'-P energy: -44.591
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -52.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -408.242607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.242607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.242607 (E_RNA)
where:
Base-Base interactions energy: -242.696
where: short stacking energy: -113.134
Base-Backbone interact. energy: -0.269
local terms energy: -165.277504
where:
bonds (distance) C4'-P energy: -37.418
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -44.839
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -225.873949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.873949 (E_RNA)
where:
Base-Base interactions energy: -81.675
where: short stacking energy: -71.862
Base-Backbone interact. energy: 4.214
local terms energy: -148.413271
where:
bonds (distance) C4'-P energy: -43.506
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -28.849
tors. eta vs tors. theta energy: 12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -961.861217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.861217 (E_RNA)
where:
Base-Base interactions energy: -669.700
where: short stacking energy: -285.661
Base-Backbone interact. energy: -1.596
local terms energy: -290.565112
where:
bonds (distance) C4'-P energy: -57.384
bonds (distance) P-C4' energy: -55.312
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -85.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -931.678722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.678722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.678722 (E_RNA)
where:
Base-Base interactions energy: -625.847
where: short stacking energy: -275.716
Base-Backbone interact. energy: -1.277
local terms energy: -304.555014
where:
bonds (distance) C4'-P energy: -61.419
bonds (distance) P-C4' energy: -59.687
flat angles C4'-P-C4' energy: -57.346
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -84.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -898.275811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.275811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.275811 (E_RNA)
where:
Base-Base interactions energy: -630.458
where: short stacking energy: -279.056
Base-Backbone interact. energy: -0.940
local terms energy: -266.877982
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -48.965
flat angles C4'-P-C4' energy: -53.549
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -84.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -835.127812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.127812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.127812 (E_RNA)
where:
Base-Base interactions energy: -566.868
where: short stacking energy: -248.836
Base-Backbone interact. energy: -1.121
local terms energy: -267.138851
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -63.986
flat angles P-C4'-P energy: -30.655
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: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -825.172165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.172165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.172165 (E_RNA)
where:
Base-Base interactions energy: -571.428
where: short stacking energy: -238.972
Base-Backbone interact. energy: 0.869
local terms energy: -254.612373
where:
bonds (distance) C4'-P energy: -52.119
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -57.951
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -61.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -784.151775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.151775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.151775 (E_RNA)
where:
Base-Base interactions energy: -539.885
where: short stacking energy: -230.393
Base-Backbone interact. energy: -0.808
local terms energy: -243.458104
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -47.500
flat angles C4'-P-C4' energy: -58.164
flat angles P-C4'-P energy: -33.536
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: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -745.941224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.941224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.941224 (E_RNA)
where:
Base-Base interactions energy: -502.973
where: short stacking energy: -219.605
Base-Backbone interact. energy: -0.220
local terms energy: -242.747843
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -55.167
flat angles C4'-P-C4' energy: -52.692
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -656.586990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.586990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.586990 (E_RNA)
where:
Base-Base interactions energy: -422.507
where: short stacking energy: -158.879
Base-Backbone interact. energy: -1.169
local terms energy: -232.911454
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -50.844
flat angles P-C4'-P energy: -30.966
tors. eta vs tors. theta energy: -52.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -368.900338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.900338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.900338 (E_RNA)
where:
Base-Base interactions energy: -194.250
where: short stacking energy: -92.961
Base-Backbone interact. energy: -3.938
local terms energy: -170.712038
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -44.278
flat angles C4'-P-C4' energy: -41.365
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -220.282335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.282335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.282335 (E_RNA)
where:
Base-Base interactions energy: -74.064
where: short stacking energy: -66.201
Base-Backbone interact. energy: -1.128
local terms energy: -145.090257
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -44.288
flat angles C4'-P-C4' energy: -45.662
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: 1.298
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: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -964.207883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.207883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.207883 (E_RNA)
where:
Base-Base interactions energy: -673.507
where: short stacking energy: -294.453
Base-Backbone interact. energy: -1.143
local terms energy: -289.557860
where:
bonds (distance) C4'-P energy: -52.409
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -57.477
flat angles P-C4'-P energy: -39.811
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: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -962.824526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.824526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.824526 (E_RNA)
where:
Base-Base interactions energy: -659.626
where: short stacking energy: -283.982
Base-Backbone interact. energy: -1.475
local terms energy: -301.723517
where:
bonds (distance) C4'-P energy: -57.137
bonds (distance) P-C4' energy: -54.178
flat angles C4'-P-C4' energy: -60.277
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -89.278
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: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -899.221841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.221841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.221841 (E_RNA)
where:
Base-Base interactions energy: -611.314
where: short stacking energy: -273.170
Base-Backbone interact. energy: -0.186
local terms energy: -287.721311
where:
bonds (distance) C4'-P energy: -60.106
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -56.091
flat angles P-C4'-P energy: -39.613
tors. eta vs tors. theta energy: -84.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -827.670167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.670167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.670167 (E_RNA)
where:
Base-Base interactions energy: -566.174
where: short stacking energy: -234.948
Base-Backbone interact. energy: 0.756
local terms energy: -262.252969
where:
bonds (distance) C4'-P energy: -57.535
bonds (distance) P-C4' energy: -56.353
flat angles C4'-P-C4' energy: -50.010
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -65.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -787.494631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.494631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.494631 (E_RNA)
where:
Base-Base interactions energy: -537.521
where: short stacking energy: -233.495
Base-Backbone interact. energy: -1.629
local terms energy: -248.344872
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -35.922
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: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -782.290620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.290620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.290620 (E_RNA)
where:
Base-Base interactions energy: -553.004
where: short stacking energy: -226.838
Base-Backbone interact. energy: -0.991
local terms energy: -228.295732
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -48.410
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -62.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -717.584712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.584712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.584712 (E_RNA)
where:
Base-Base interactions energy: -488.417
where: short stacking energy: -220.994
Base-Backbone interact. energy: 0.063
local terms energy: -229.231009
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -44.094
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -61.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -698.333045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.333045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.333045 (E_RNA)
where:
Base-Base interactions energy: -458.683
where: short stacking energy: -194.002
Base-Backbone interact. energy: -1.085
local terms energy: -238.564862
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -47.719
flat angles C4'-P-C4' energy: -48.020
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: -50.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -411.791869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.791869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.791869 (E_RNA)
where:
Base-Base interactions energy: -241.759
where: short stacking energy: -129.468
Base-Backbone interact. energy: 2.454
local terms energy: -172.486660
where:
bonds (distance) C4'-P energy: -49.427
bonds (distance) P-C4' energy: -39.842
flat angles C4'-P-C4' energy: -46.327
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -230.207662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.207662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.207662 (E_RNA)
where:
Base-Base interactions energy: -95.446
where: short stacking energy: -62.904
Base-Backbone interact. energy: -1.141
local terms energy: -133.620738
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -41.746
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: 4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -951.396002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.396002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.396002 (E_RNA)
where:
Base-Base interactions energy: -651.194
where: short stacking energy: -292.627
Base-Backbone interact. energy: -0.376
local terms energy: -299.826212
where:
bonds (distance) C4'-P energy: -54.501
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -81.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -951.598937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.598937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.598937 (E_RNA)
where:
Base-Base interactions energy: -653.078
where: short stacking energy: -273.706
Base-Backbone interact. energy: -0.480
local terms energy: -298.041269
where:
bonds (distance) C4'-P energy: -53.927
bonds (distance) P-C4' energy: -49.204
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -90.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -867.791232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.791232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.791232 (E_RNA)
where:
Base-Base interactions energy: -597.126
where: short stacking energy: -265.457
Base-Backbone interact. energy: -0.811
local terms energy: -269.854551
where:
bonds (distance) C4'-P energy: -45.391
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -49.751
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -83.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -842.132901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.132901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.132901 (E_RNA)
where:
Base-Base interactions energy: -579.706
where: short stacking energy: -244.776
Base-Backbone interact. energy: -0.690
local terms energy: -261.736880
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -47.356
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -36.957
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: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -788.842019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.842019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.842019 (E_RNA)
where:
Base-Base interactions energy: -529.395
where: short stacking energy: -227.781
Base-Backbone interact. energy: 0.853
local terms energy: -260.299762
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -59.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -790.179119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.179119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.179119 (E_RNA)
where:
Base-Base interactions energy: -544.664
where: short stacking energy: -222.314
Base-Backbone interact. energy: 0.949
local terms energy: -246.463342
where:
bonds (distance) C4'-P energy: -37.153
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -54.353
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -65.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -723.816057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.816057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.816057 (E_RNA)
where:
Base-Base interactions energy: -486.783
where: short stacking energy: -196.265
Base-Backbone interact. energy: -0.670
local terms energy: -236.363611
where:
bonds (distance) C4'-P energy: -47.054
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -54.523
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -59.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -753.098723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.098723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.098723 (E_RNA)
where:
Base-Base interactions energy: -511.824
where: short stacking energy: -224.979
Base-Backbone interact. energy: 0.358
local terms energy: -241.632721
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -51.299
flat angles C4'-P-C4' energy: -48.527
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -56.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -417.804728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.804728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.804728 (E_RNA)
where:
Base-Base interactions energy: -249.375
where: short stacking energy: -139.806
Base-Backbone interact. energy: -0.394
local terms energy: -168.035159
where:
bonds (distance) C4'-P energy: -39.388
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -35.790
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -23.870
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: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -228.215225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.215225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.215225 (E_RNA)
where:
Base-Base interactions energy: -80.834
where: short stacking energy: -74.353
Base-Backbone interact. energy: 0.893
local terms energy: -148.274462
where:
bonds (distance) C4'-P energy: -38.297
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -35.025
flat angles P-C4'-P energy: -32.959
tors. eta vs tors. theta energy: 2.605
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: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -957.204658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.204658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.204658 (E_RNA)
where:
Base-Base interactions energy: -659.655
where: short stacking energy: -272.701
Base-Backbone interact. energy: 1.103
local terms energy: -298.652399
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -61.158
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -85.173
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: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -958.707310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.707310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.707310 (E_RNA)
where:
Base-Base interactions energy: -656.964
where: short stacking energy: -290.830
Base-Backbone interact. energy: -0.326
local terms energy: -301.417623
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -57.222
flat angles C4'-P-C4' energy: -60.068
flat angles P-C4'-P energy: -47.748
tors. eta vs tors. theta energy: -82.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -878.767160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.767160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.767160 (E_RNA)
where:
Base-Base interactions energy: -605.075
where: short stacking energy: -267.872
Base-Backbone interact. energy: -0.730
local terms energy: -272.962516
where:
bonds (distance) C4'-P energy: -49.709
bonds (distance) P-C4' energy: -59.699
flat angles C4'-P-C4' energy: -50.442
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -74.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -835.007663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.007663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.007663 (E_RNA)
where:
Base-Base interactions energy: -581.902
where: short stacking energy: -247.577
Base-Backbone interact. energy: -0.020
local terms energy: -253.085674
where:
bonds (distance) C4'-P energy: -48.366
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -67.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -814.827637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.827637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.827637 (E_RNA)
where:
Base-Base interactions energy: -558.290
where: short stacking energy: -235.981
Base-Backbone interact. energy: -0.142
local terms energy: -256.395261
where:
bonds (distance) C4'-P energy: -45.212
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -51.943
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -66.498
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: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -758.992624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.992624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.992624 (E_RNA)
where:
Base-Base interactions energy: -529.930
where: short stacking energy: -208.076
Base-Backbone interact. energy: -0.469
local terms energy: -228.593177
where:
bonds (distance) C4'-P energy: -38.942
bonds (distance) P-C4' energy: -37.762
flat angles C4'-P-C4' energy: -59.859
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -55.297
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: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -762.432028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.432028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.432028 (E_RNA)
where:
Base-Base interactions energy: -523.670
where: short stacking energy: -228.438
Base-Backbone interact. energy: -0.254
local terms energy: -238.507972
where:
bonds (distance) C4'-P energy: -39.776
bonds (distance) P-C4' energy: -45.356
flat angles C4'-P-C4' energy: -49.526
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -61.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -670.492403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.492403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.492403 (E_RNA)
where:
Base-Base interactions energy: -470.607
where: short stacking energy: -206.869
Base-Backbone interact. energy: -0.271
local terms energy: -199.613480
where:
bonds (distance) C4'-P energy: -39.583
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -27.483
tors. eta vs tors. theta energy: -45.099
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: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -434.535991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.535991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.535991 (E_RNA)
where:
Base-Base interactions energy: -258.975
where: short stacking energy: -129.898
Base-Backbone interact. energy: -0.324
local terms energy: -175.237339
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -43.752
flat angles C4'-P-C4' energy: -36.152
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -251.891909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.891909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.891909 (E_RNA)
where:
Base-Base interactions energy: -109.570
where: short stacking energy: -59.668
Base-Backbone interact. energy: -1.735
local terms energy: -140.586466
where:
bonds (distance) C4'-P energy: -44.783
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -36.282
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: 5.669
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: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -975.932075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.932075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.932075 (E_RNA)
where:
Base-Base interactions energy: -670.335
where: short stacking energy: -283.658
Base-Backbone interact. energy: -2.750
local terms energy: -302.847522
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -58.775
flat angles C4'-P-C4' energy: -61.858
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: -91.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -949.974404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.974404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.974404 (E_RNA)
where:
Base-Base interactions energy: -661.358
where: short stacking energy: -280.110
Base-Backbone interact. energy: -1.459
local terms energy: -287.157590
where:
bonds (distance) C4'-P energy: -49.594
bonds (distance) P-C4' energy: -53.628
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -82.944
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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -882.820401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.820401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.820401 (E_RNA)
where:
Base-Base interactions energy: -605.516
where: short stacking energy: -252.301
Base-Backbone interact. energy: -2.370
local terms energy: -274.934450
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -51.218
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -75.157
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -840.121189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.121189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.121189 (E_RNA)
where:
Base-Base interactions energy: -569.223
where: short stacking energy: -241.498
Base-Backbone interact. energy: -1.725
local terms energy: -269.173090
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -49.154
flat angles C4'-P-C4' energy: -62.685
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: -68.698
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: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -821.200357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.200357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.200357 (E_RNA)
where:
Base-Base interactions energy: -551.152
where: short stacking energy: -238.530
Base-Backbone interact. energy: -1.253
local terms energy: -268.795821
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -77.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -779.185453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.185453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.185453 (E_RNA)
where:
Base-Base interactions energy: -534.305
where: short stacking energy: -227.873
Base-Backbone interact. energy: -0.299
local terms energy: -244.581436
where:
bonds (distance) C4'-P energy: -46.802
bonds (distance) P-C4' energy: -51.084
flat angles C4'-P-C4' energy: -53.330
flat angles P-C4'-P energy: -36.508
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -752.730754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.730754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.730754 (E_RNA)
where:
Base-Base interactions energy: -517.267
where: short stacking energy: -218.191
Base-Backbone interact. energy: -0.733
local terms energy: -234.730108
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -52.074
flat angles C4'-P-C4' energy: -47.422
flat angles P-C4'-P energy: -35.183
tors. eta vs tors. theta energy: -59.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -657.639031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.639031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.639031 (E_RNA)
where:
Base-Base interactions energy: -455.798
where: short stacking energy: -183.910
Base-Backbone interact. energy: 1.787
local terms energy: -203.627696
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -37.260
flat angles C4'-P-C4' energy: -57.135
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: -38.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -477.216435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.216435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.216435 (E_RNA)
where:
Base-Base interactions energy: -288.831
where: short stacking energy: -136.200
Base-Backbone interact. energy: -1.301
local terms energy: -187.084096
where:
bonds (distance) C4'-P energy: -41.043
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -49.455
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -229.873896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.873896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.873896 (E_RNA)
where:
Base-Base interactions energy: -82.703
where: short stacking energy: -72.506
Base-Backbone interact. energy: 0.401
local terms energy: -147.572314
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -44.709
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -961.253123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.253123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.253123 (E_RNA)
where:
Base-Base interactions energy: -673.627
where: short stacking energy: -285.359
Base-Backbone interact. energy: -0.881
local terms energy: -286.745189
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -49.451
flat angles C4'-P-C4' energy: -58.554
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -89.152
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: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -943.471995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.471995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.471995 (E_RNA)
where:
Base-Base interactions energy: -648.089
where: short stacking energy: -283.980
Base-Backbone interact. energy: -2.121
local terms energy: -293.262077
where:
bonds (distance) C4'-P energy: -54.817
bonds (distance) P-C4' energy: -53.756
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -87.017
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: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -886.725905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.725905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.725905 (E_RNA)
where:
Base-Base interactions energy: -623.978
where: short stacking energy: -259.279
Base-Backbone interact. energy: -0.325
local terms energy: -262.423265
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -31.762
tors. eta vs tors. theta energy: -76.450
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: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -862.924016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.924016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.924016 (E_RNA)
where:
Base-Base interactions energy: -593.792
where: short stacking energy: -266.051
Base-Backbone interact. energy: 0.101
local terms energy: -269.233462
where:
bonds (distance) C4'-P energy: -43.940
bonds (distance) P-C4' energy: -50.349
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -37.709
tors. eta vs tors. theta energy: -74.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -808.346832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.346832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.346832 (E_RNA)
where:
Base-Base interactions energy: -562.358
where: short stacking energy: -223.386
Base-Backbone interact. energy: -0.152
local terms energy: -245.836585
where:
bonds (distance) C4'-P energy: -50.795
bonds (distance) P-C4' energy: -46.374
flat angles C4'-P-C4' energy: -52.019
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -63.784
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: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -769.717396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.717396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.717396 (E_RNA)
where:
Base-Base interactions energy: -512.842
where: short stacking energy: -219.103
Base-Backbone interact. energy: -0.418
local terms energy: -256.457789
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -53.917
flat angles C4'-P-C4' energy: -48.626
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -62.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -784.489084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.489084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.489084 (E_RNA)
where:
Base-Base interactions energy: -525.724
where: short stacking energy: -224.866
Base-Backbone interact. energy: 1.618
local terms energy: -260.382549
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -55.546
flat angles C4'-P-C4' energy: -58.558
flat angles P-C4'-P energy: -36.296
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -668.459852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.459852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.459852 (E_RNA)
where:
Base-Base interactions energy: -451.560
where: short stacking energy: -190.593
Base-Backbone interact. energy: -0.347
local terms energy: -216.552896
where:
bonds (distance) C4'-P energy: -43.341
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -53.228
flat angles P-C4'-P energy: -28.188
tors. eta vs tors. theta energy: -46.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -485.936925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.936925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.936925 (E_RNA)
where:
Base-Base interactions energy: -281.919
where: short stacking energy: -135.614
Base-Backbone interact. energy: -1.404
local terms energy: -202.613251
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -42.826
flat angles P-C4'-P energy: -31.418
tors. eta vs tors. theta energy: -31.229
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: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -222.213093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.213093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.213093 (E_RNA)
where:
Base-Base interactions energy: -88.915
where: short stacking energy: -77.560
Base-Backbone interact. energy: 0.726
local terms energy: -134.023909
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -960.139269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.139269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.139269 (E_RNA)
where:
Base-Base interactions energy: -660.073
where: short stacking energy: -292.268
Base-Backbone interact. energy: -1.512
local terms energy: -298.554549
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -64.332
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -90.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -953.365095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.365095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.365095 (E_RNA)
where:
Base-Base interactions energy: -655.925
where: short stacking energy: -297.473
Base-Backbone interact. energy: -0.116
local terms energy: -297.324521
where:
bonds (distance) C4'-P energy: -55.106
bonds (distance) P-C4' energy: -52.361
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -89.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -895.163016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.163016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.163016 (E_RNA)
where:
Base-Base interactions energy: -603.184
where: short stacking energy: -251.981
Base-Backbone interact. energy: 0.008
local terms energy: -291.987663
where:
bonds (distance) C4'-P energy: -55.588
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -79.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -842.532649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.532649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.532649 (E_RNA)
where:
Base-Base interactions energy: -584.712
where: short stacking energy: -271.858
Base-Backbone interact. energy: -1.304
local terms energy: -256.516437
where:
bonds (distance) C4'-P energy: -50.852
bonds (distance) P-C4' energy: -44.875
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -77.664
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -805.170521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.170521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.170521 (E_RNA)
where:
Base-Base interactions energy: -561.083
where: short stacking energy: -230.283
Base-Backbone interact. energy: -1.119
local terms energy: -242.969203
where:
bonds (distance) C4'-P energy: -47.832
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -49.388
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -67.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -791.045151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.045151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.045151 (E_RNA)
where:
Base-Base interactions energy: -545.333
where: short stacking energy: -206.690
Base-Backbone interact. energy: 0.226
local terms energy: -245.937790
where:
bonds (distance) C4'-P energy: -45.654
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -31.990
tors. eta vs tors. theta energy: -59.637
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: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -768.058652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.058652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.058652 (E_RNA)
where:
Base-Base interactions energy: -520.922
where: short stacking energy: -229.432
Base-Backbone interact. energy: -0.160
local terms energy: -246.976427
where:
bonds (distance) C4'-P energy: -47.489
bonds (distance) P-C4' energy: -50.228
flat angles C4'-P-C4' energy: -51.138
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -64.207
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: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -695.484749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.484749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.484749 (E_RNA)
where:
Base-Base interactions energy: -465.261
where: short stacking energy: -195.756
Base-Backbone interact. energy: -1.374
local terms energy: -228.848933
where:
bonds (distance) C4'-P energy: -51.121
bonds (distance) P-C4' energy: -38.128
flat angles C4'-P-C4' energy: -50.160
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -57.807
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: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -485.955309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.955309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.955309 (E_RNA)
where:
Base-Base interactions energy: -297.737
where: short stacking energy: -144.397
Base-Backbone interact. energy: 0.544
local terms energy: -188.762157
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -222.991249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991249 (E_RNA)
where:
Base-Base interactions energy: -70.746
where: short stacking energy: -48.619
Base-Backbone interact. energy: 4.824
local terms energy: -157.069810
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -49.350
flat angles C4'-P-C4' energy: -39.406
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: 7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -962.413254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.413254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.413254 (E_RNA)
where:
Base-Base interactions energy: -654.712
where: short stacking energy: -292.366
Base-Backbone interact. energy: -0.511
local terms energy: -307.190585
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -47.772
flat angles C4'-P-C4' energy: -61.298
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -91.696
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: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -954.915464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.915464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.915464 (E_RNA)
where:
Base-Base interactions energy: -671.122
where: short stacking energy: -285.075
Base-Backbone interact. energy: -0.212
local terms energy: -283.581150
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -47.404
flat angles C4'-P-C4' energy: -57.377
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -88.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -910.178070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.178070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.178070 (E_RNA)
where:
Base-Base interactions energy: -629.058
where: short stacking energy: -267.117
Base-Backbone interact. energy: 0.731
local terms energy: -281.851459
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -48.098
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -40.039
tors. eta vs tors. theta energy: -77.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -832.366477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.366477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.366477 (E_RNA)
where:
Base-Base interactions energy: -577.579
where: short stacking energy: -245.609
Base-Backbone interact. energy: 1.183
local terms energy: -255.970710
where:
bonds (distance) C4'-P energy: -48.681
bonds (distance) P-C4' energy: -48.275
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -64.986
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: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -801.838364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.838364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.838364 (E_RNA)
where:
Base-Base interactions energy: -555.600
where: short stacking energy: -232.499
Base-Backbone interact. energy: -0.533
local terms energy: -245.705673
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -59.638
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -60.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -782.220470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.220470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.220470 (E_RNA)
where:
Base-Base interactions energy: -541.388
where: short stacking energy: -214.915
Base-Backbone interact. energy: -2.052
local terms energy: -238.780232
where:
bonds (distance) C4'-P energy: -42.357
bonds (distance) P-C4' energy: -46.934
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -61.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -760.755935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.755935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.755935 (E_RNA)
where:
Base-Base interactions energy: -525.553
where: short stacking energy: -216.010
Base-Backbone interact. energy: 1.217
local terms energy: -236.419528
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -48.008
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -67.882
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: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -661.291944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.291944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.291944 (E_RNA)
where:
Base-Base interactions energy: -462.929
where: short stacking energy: -188.123
Base-Backbone interact. energy: -0.225
local terms energy: -198.138079
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -36.962
tors. eta vs tors. theta energy: -35.775
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: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -478.098102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.098102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.098102 (E_RNA)
where:
Base-Base interactions energy: -278.028
where: short stacking energy: -131.980
Base-Backbone interact. energy: 0.591
local terms energy: -200.661141
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -46.522
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: -29.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -225.736991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.736991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.736991 (E_RNA)
where:
Base-Base interactions energy: -86.237
where: short stacking energy: -82.052
Base-Backbone interact. energy: -0.693
local terms energy: -138.807446
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -50.221
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: 2.309
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: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -953.205071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.205071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.205071 (E_RNA)
where:
Base-Base interactions energy: -656.544
where: short stacking energy: -280.020
Base-Backbone interact. energy: -1.905
local terms energy: -294.756203
where:
bonds (distance) C4'-P energy: -47.590
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -82.962
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: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -948.182206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.182206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.182206 (E_RNA)
where:
Base-Base interactions energy: -664.645
where: short stacking energy: -282.694
Base-Backbone interact. energy: -0.562
local terms energy: -282.974915
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -56.324
flat angles C4'-P-C4' energy: -58.218
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: -90.968
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -882.634924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.634924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.634924 (E_RNA)
where:
Base-Base interactions energy: -616.444
where: short stacking energy: -253.923
Base-Backbone interact. energy: -0.847
local terms energy: -265.343107
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -49.438
flat angles C4'-P-C4' energy: -55.446
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -72.440
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: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -853.809631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.809631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.809631 (E_RNA)
where:
Base-Base interactions energy: -568.480
where: short stacking energy: -241.279
Base-Backbone interact. energy: -0.457
local terms energy: -284.872629
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -59.330
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: -77.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -834.252723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.252723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.252723 (E_RNA)
where:
Base-Base interactions energy: -555.190
where: short stacking energy: -236.870
Base-Backbone interact. energy: 0.095
local terms energy: -279.158037
where:
bonds (distance) C4'-P energy: -50.988
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -64.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -792.218177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.218177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.218177 (E_RNA)
where:
Base-Base interactions energy: -548.648
where: short stacking energy: -238.769
Base-Backbone interact. energy: -2.175
local terms energy: -241.395682
where:
bonds (distance) C4'-P energy: -56.397
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -55.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -761.052853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.052853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.052853 (E_RNA)
where:
Base-Base interactions energy: -519.805
where: short stacking energy: -231.811
Base-Backbone interact. energy: 1.149
local terms energy: -242.396524
where:
bonds (distance) C4'-P energy: -37.912
bonds (distance) P-C4' energy: -44.010
flat angles C4'-P-C4' energy: -57.902
flat angles P-C4'-P energy: -39.521
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: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -670.031682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.031682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.031682 (E_RNA)
where:
Base-Base interactions energy: -463.333
where: short stacking energy: -180.076
Base-Backbone interact. energy: -0.776
local terms energy: -205.922873
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -49.443
flat angles C4'-P-C4' energy: -42.051
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -47.152
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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -488.142939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.142939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.142939 (E_RNA)
where:
Base-Base interactions energy: -292.273
where: short stacking energy: -142.906
Base-Backbone interact. energy: -0.866
local terms energy: -195.003961
where:
bonds (distance) C4'-P energy: -50.144
bonds (distance) P-C4' energy: -42.322
flat angles C4'-P-C4' energy: -41.555
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: -32.333
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: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -246.298465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.298465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.298465 (E_RNA)
where:
Base-Base interactions energy: -86.991
where: short stacking energy: -59.823
Base-Backbone interact. energy: -3.130
local terms energy: -156.177102
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -43.944
flat angles C4'-P-C4' energy: -44.268
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -941.008573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.008573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.008573 (E_RNA)
where:
Base-Base interactions energy: -652.457
where: short stacking energy: -258.136
Base-Backbone interact. energy: -0.853
local terms energy: -287.699107
where:
bonds (distance) C4'-P energy: -59.317
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -85.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -921.763848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.763848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.763848 (E_RNA)
where:
Base-Base interactions energy: -634.179
where: short stacking energy: -282.882
Base-Backbone interact. energy: -1.475
local terms energy: -286.109900
where:
bonds (distance) C4'-P energy: -49.371
bonds (distance) P-C4' energy: -51.164
flat angles C4'-P-C4' energy: -57.450
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -85.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -874.128037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.128037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.128037 (E_RNA)
where:
Base-Base interactions energy: -608.281
where: short stacking energy: -254.642
Base-Backbone interact. energy: -1.376
local terms energy: -264.471201
where:
bonds (distance) C4'-P energy: -42.529
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -68.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -839.354539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.354539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.354539 (E_RNA)
where:
Base-Base interactions energy: -575.855
where: short stacking energy: -254.593
Base-Backbone interact. energy: -0.742
local terms energy: -262.756995
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -51.381
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -80.132
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: 286
Temperature: 1.100000
Total energy: -803.243018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.243018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.243018 (E_RNA)
where:
Base-Base interactions energy: -542.023
where: short stacking energy: -238.170
Base-Backbone interact. energy: -0.166
local terms energy: -261.053429
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -55.903
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -67.906
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: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -799.486260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.486260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.486260 (E_RNA)
where:
Base-Base interactions energy: -540.726
where: short stacking energy: -226.469
Base-Backbone interact. energy: -1.200
local terms energy: -257.560969
where:
bonds (distance) C4'-P energy: -50.576
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -56.060
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -63.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -762.091547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.091547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.091547 (E_RNA)
where:
Base-Base interactions energy: -523.308
where: short stacking energy: -231.183
Base-Backbone interact. energy: 0.573
local terms energy: -239.356593
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -56.338
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: -61.321
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: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -701.126821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.126821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.126821 (E_RNA)
where:
Base-Base interactions energy: -478.150
where: short stacking energy: -196.237
Base-Backbone interact. energy: 2.956
local terms energy: -225.932460
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -40.876
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -32.478
tors. eta vs tors. theta energy: -49.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -492.228216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.228216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.228216 (E_RNA)
where:
Base-Base interactions energy: -307.717
where: short stacking energy: -139.771
Base-Backbone interact. energy: -0.901
local terms energy: -183.610771
where:
bonds (distance) C4'-P energy: -41.209
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -50.730
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -22.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -248.661397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.661397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.661397 (E_RNA)
where:
Base-Base interactions energy: -101.181
where: short stacking energy: -75.034
Base-Backbone interact. energy: 1.449
local terms energy: -148.930259
where:
bonds (distance) C4'-P energy: -37.600
bonds (distance) P-C4' energy: -42.747
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -960.075944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.075944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.075944 (E_RNA)
where:
Base-Base interactions energy: -657.938
where: short stacking energy: -285.872
Base-Backbone interact. energy: -0.584
local terms energy: -301.553745
where:
bonds (distance) C4'-P energy: -48.898
bonds (distance) P-C4' energy: -59.414
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -88.496
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: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -944.508759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.508759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.508759 (E_RNA)
where:
Base-Base interactions energy: -663.148
where: short stacking energy: -303.799
Base-Backbone interact. energy: -0.774
local terms energy: -280.587125
where:
bonds (distance) C4'-P energy: -51.570
bonds (distance) P-C4' energy: -47.626
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -82.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -878.938451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.938451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.938451 (E_RNA)
where:
Base-Base interactions energy: -591.348
where: short stacking energy: -257.834
Base-Backbone interact. energy: -0.876
local terms energy: -286.714912
where:
bonds (distance) C4'-P energy: -46.309
bonds (distance) P-C4' energy: -55.897
flat angles C4'-P-C4' energy: -64.178
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -80.118
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -819.312925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.312925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.312925 (E_RNA)
where:
Base-Base interactions energy: -574.253
where: short stacking energy: -255.133
Base-Backbone interact. energy: -0.127
local terms energy: -244.933281
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -47.590
flat angles C4'-P-C4' energy: -54.852
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -66.864
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: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -838.681219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.681219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.681219 (E_RNA)
where:
Base-Base interactions energy: -575.372
where: short stacking energy: -246.924
Base-Backbone interact. energy: -0.992
local terms energy: -262.317074
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: -71.362
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: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -810.731504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.731504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.731504 (E_RNA)
where:
Base-Base interactions energy: -576.058
where: short stacking energy: -248.627
Base-Backbone interact. energy: -0.617
local terms energy: -234.056479
where:
bonds (distance) C4'-P energy: -37.972
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -27.387
tors. eta vs tors. theta energy: -60.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -764.553059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.553059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.553059 (E_RNA)
where:
Base-Base interactions energy: -516.968
where: short stacking energy: -218.375
Base-Backbone interact. energy: -0.990
local terms energy: -246.594851
where:
bonds (distance) C4'-P energy: -53.761
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -47.045
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -57.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -696.986390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.986390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.986390 (E_RNA)
where:
Base-Base interactions energy: -468.392
where: short stacking energy: -201.417
Base-Backbone interact. energy: -1.539
local terms energy: -227.055379
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -52.736
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -58.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -487.877998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.877998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.877998 (E_RNA)
where:
Base-Base interactions energy: -295.457
where: short stacking energy: -138.170
Base-Backbone interact. energy: -0.905
local terms energy: -191.515641
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -49.893
flat angles C4'-P-C4' energy: -43.635
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: -27.501
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: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -265.985670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.985670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.985670 (E_RNA)
where:
Base-Base interactions energy: -104.382
where: short stacking energy: -97.096
Base-Backbone interact. energy: -0.447
local terms energy: -161.156172
where:
bonds (distance) C4'-P energy: -47.643
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -40.508
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -971.488770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.488770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.488770 (E_RNA)
where:
Base-Base interactions energy: -654.849
where: short stacking energy: -276.000
Base-Backbone interact. energy: -1.800
local terms energy: -314.840291
where:
bonds (distance) C4'-P energy: -53.211
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -45.831
tors. eta vs tors. theta energy: -94.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -938.301571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.301571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.301571 (E_RNA)
where:
Base-Base interactions energy: -649.190
where: short stacking energy: -275.844
Base-Backbone interact. energy: -0.058
local terms energy: -289.053443
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -54.978
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -42.444
tors. eta vs tors. theta energy: -80.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -843.798422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.798422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.798422 (E_RNA)
where:
Base-Base interactions energy: -580.261
where: short stacking energy: -251.454
Base-Backbone interact. energy: -0.003
local terms energy: -263.533712
where:
bonds (distance) C4'-P energy: -52.612
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -63.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -849.496409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.496409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.496409 (E_RNA)
where:
Base-Base interactions energy: -581.641
where: short stacking energy: -249.420
Base-Backbone interact. energy: -0.460
local terms energy: -267.396165
where:
bonds (distance) C4'-P energy: -60.450
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -49.831
flat angles P-C4'-P energy: -32.264
tors. eta vs tors. theta energy: -70.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -833.350350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.350350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.350350 (E_RNA)
where:
Base-Base interactions energy: -583.367
where: short stacking energy: -248.281
Base-Backbone interact. energy: -0.574
local terms energy: -249.409509
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -50.020
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -71.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -792.389953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.389953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.389953 (E_RNA)
where:
Base-Base interactions energy: -542.404
where: short stacking energy: -225.989
Base-Backbone interact. energy: -0.642
local terms energy: -249.343703
where:
bonds (distance) C4'-P energy: -47.854
bonds (distance) P-C4' energy: -46.469
flat angles C4'-P-C4' energy: -53.332
flat angles P-C4'-P energy: -33.224
tors. eta vs tors. theta energy: -68.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -787.440724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.440724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.440724 (E_RNA)
where:
Base-Base interactions energy: -537.496
where: short stacking energy: -239.516
Base-Backbone interact. energy: -0.824
local terms energy: -249.121073
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -55.551
flat angles P-C4'-P energy: -36.836
tors. eta vs tors. theta energy: -63.286
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -693.023588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.023588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.023588 (E_RNA)
where:
Base-Base interactions energy: -463.521
where: short stacking energy: -183.981
Base-Backbone interact. energy: 0.924
local terms energy: -230.426006
where:
bonds (distance) C4'-P energy: -41.601
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: -53.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -503.815309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.815309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.815309 (E_RNA)
where:
Base-Base interactions energy: -299.751
where: short stacking energy: -157.521
Base-Backbone interact. energy: -1.696
local terms energy: -202.369016
where:
bonds (distance) C4'-P energy: -43.714
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -44.561
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: -46.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -225.756198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.756198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.756198 (E_RNA)
where:
Base-Base interactions energy: -96.296
where: short stacking energy: -68.592
Base-Backbone interact. energy: 1.456
local terms energy: -130.916709
where:
bonds (distance) C4'-P energy: -38.243
bonds (distance) P-C4' energy: -43.201
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: 10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -970.363678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.363678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.363678 (E_RNA)
where:
Base-Base interactions energy: -661.061
where: short stacking energy: -289.136
Base-Backbone interact. energy: -1.009
local terms energy: -308.294453
where:
bonds (distance) C4'-P energy: -49.172
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -60.176
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -94.796
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: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -934.551113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.551113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.551113 (E_RNA)
where:
Base-Base interactions energy: -649.247
where: short stacking energy: -285.142
Base-Backbone interact. energy: -3.040
local terms energy: -282.263777
where:
bonds (distance) C4'-P energy: -45.813
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -86.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -871.250128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.250128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.250128 (E_RNA)
where:
Base-Base interactions energy: -590.577
where: short stacking energy: -260.514
Base-Backbone interact. energy: -0.093
local terms energy: -280.580014
where:
bonds (distance) C4'-P energy: -59.234
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -40.557
tors. eta vs tors. theta energy: -74.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -846.456944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.456944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.456944 (E_RNA)
where:
Base-Base interactions energy: -572.870
where: short stacking energy: -245.064
Base-Backbone interact. energy: -0.356
local terms energy: -273.231655
where:
bonds (distance) C4'-P energy: -51.458
bonds (distance) P-C4' energy: -56.492
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -71.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -825.656639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.656639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.656639 (E_RNA)
where:
Base-Base interactions energy: -573.953
where: short stacking energy: -247.448
Base-Backbone interact. energy: -0.527
local terms energy: -251.177285
where:
bonds (distance) C4'-P energy: -40.307
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -56.820
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -64.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -797.620412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.620412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.620412 (E_RNA)
where:
Base-Base interactions energy: -542.926
where: short stacking energy: -236.929
Base-Backbone interact. energy: 0.830
local terms energy: -255.524226
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -48.709
flat angles C4'-P-C4' energy: -59.113
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -67.789
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: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -738.551628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.551628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.551628 (E_RNA)
where:
Base-Base interactions energy: -520.392
where: short stacking energy: -216.067
Base-Backbone interact. energy: -0.124
local terms energy: -218.035891
where:
bonds (distance) C4'-P energy: -27.122
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -47.919
flat angles P-C4'-P energy: -33.112
tors. eta vs tors. theta energy: -56.968
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: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -696.304217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.304217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.304217 (E_RNA)
where:
Base-Base interactions energy: -467.831
where: short stacking energy: -210.039
Base-Backbone interact. energy: -1.896
local terms energy: -226.577239
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -43.852
flat angles C4'-P-C4' energy: -50.150
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -55.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -509.034352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.034352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.034352 (E_RNA)
where:
Base-Base interactions energy: -307.566
where: short stacking energy: -154.595
Base-Backbone interact. energy: -0.804
local terms energy: -200.664127
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -51.373
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -31.403
tors. eta vs tors. theta energy: -37.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -244.778247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.778247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.778247 (E_RNA)
where:
Base-Base interactions energy: -105.279
where: short stacking energy: -71.792
Base-Backbone interact. energy: -1.019
local terms energy: -138.479861
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -43.686
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: 4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -992.682117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.682117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.682117 (E_RNA)
where:
Base-Base interactions energy: -692.393
where: short stacking energy: -292.195
Base-Backbone interact. energy: -0.743
local terms energy: -299.545998
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -58.578
flat angles P-C4'-P energy: -51.157
tors. eta vs tors. theta energy: -88.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -946.470632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.470632 (E_RNA)
where:
Base-Base interactions energy: -648.705
where: short stacking energy: -283.907
Base-Backbone interact. energy: -0.715
local terms energy: -297.050759
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -63.844
flat angles P-C4'-P energy: -40.530
tors. eta vs tors. theta energy: -90.521
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: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -850.781021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.781021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.781021 (E_RNA)
where:
Base-Base interactions energy: -577.919
where: short stacking energy: -249.620
Base-Backbone interact. energy: -0.453
local terms energy: -272.408550
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -54.081
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -40.625
tors. eta vs tors. theta energy: -73.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -842.665193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.665193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.665193 (E_RNA)
where:
Base-Base interactions energy: -582.526
where: short stacking energy: -241.861
Base-Backbone interact. energy: 1.657
local terms energy: -261.796889
where:
bonds (distance) C4'-P energy: -47.808
bonds (distance) P-C4' energy: -60.506
flat angles C4'-P-C4' energy: -51.002
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -66.782
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -803.534213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.534213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.534213 (E_RNA)
where:
Base-Base interactions energy: -542.492
where: short stacking energy: -227.417
Base-Backbone interact. energy: -0.369
local terms energy: -260.672805
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -47.765
flat angles C4'-P-C4' energy: -57.318
flat angles P-C4'-P energy: -33.581
tors. eta vs tors. theta energy: -64.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -773.199949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.199949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.199949 (E_RNA)
where:
Base-Base interactions energy: -541.237
where: short stacking energy: -234.704
Base-Backbone interact. energy: -0.667
local terms energy: -231.296298
where:
bonds (distance) C4'-P energy: -40.944
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -46.508
tors. eta vs tors. theta energy: -54.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -706.060119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.060119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.060119 (E_RNA)
where:
Base-Base interactions energy: -488.123
where: short stacking energy: -204.873
Base-Backbone interact. energy: -1.210
local terms energy: -216.726320
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: -43.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -729.972883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.972883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.972883 (E_RNA)
where:
Base-Base interactions energy: -494.333
where: short stacking energy: -199.103
Base-Backbone interact. energy: -1.025
local terms energy: -234.614845
where:
bonds (distance) C4'-P energy: -47.249
bonds (distance) P-C4' energy: -45.533
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -43.342
tors. eta vs tors. theta energy: -47.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -512.597674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.597674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.597674 (E_RNA)
where:
Base-Base interactions energy: -315.657
where: short stacking energy: -161.898
Base-Backbone interact. energy: 2.407
local terms energy: -199.347691
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -43.836
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -41.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -259.251950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.251950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.251950 (E_RNA)
where:
Base-Base interactions energy: -103.848
where: short stacking energy: -61.355
Base-Backbone interact. energy: -1.086
local terms energy: -154.318001
where:
bonds (distance) C4'-P energy: -48.246
bonds (distance) P-C4' energy: -47.428
flat angles C4'-P-C4' energy: -39.996
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: 4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -966.042560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.042560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.042560 (E_RNA)
where:
Base-Base interactions energy: -678.913
where: short stacking energy: -293.274
Base-Backbone interact. energy: -0.860
local terms energy: -286.269594
where:
bonds (distance) C4'-P energy: -49.349
bonds (distance) P-C4' energy: -50.514
flat angles C4'-P-C4' energy: -56.294
flat angles P-C4'-P energy: -39.955
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: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -943.180328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.180328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.180328 (E_RNA)
where:
Base-Base interactions energy: -665.570
where: short stacking energy: -293.761
Base-Backbone interact. energy: -1.299
local terms energy: -276.310717
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -48.114
flat angles C4'-P-C4' energy: -63.865
flat angles P-C4'-P energy: -37.982
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -851.337085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.337085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.337085 (E_RNA)
where:
Base-Base interactions energy: -581.872
where: short stacking energy: -258.116
Base-Backbone interact. energy: -1.336
local terms energy: -268.128589
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -70.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -843.548009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.548009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.548009 (E_RNA)
where:
Base-Base interactions energy: -581.269
where: short stacking energy: -258.256
Base-Backbone interact. energy: 0.655
local terms energy: -262.934357
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -50.301
flat angles C4'-P-C4' energy: -60.381
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -78.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -842.113426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.113426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.113426 (E_RNA)
where:
Base-Base interactions energy: -571.942
where: short stacking energy: -258.046
Base-Backbone interact. energy: 0.090
local terms energy: -270.260615
where:
bonds (distance) C4'-P energy: -39.132
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -71.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -806.896582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.896582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.896582 (E_RNA)
where:
Base-Base interactions energy: -544.852
where: short stacking energy: -236.376
Base-Backbone interact. energy: 0.101
local terms energy: -262.145724
where:
bonds (distance) C4'-P energy: -53.991
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -53.582
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -66.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -700.758012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.758012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.758012 (E_RNA)
where:
Base-Base interactions energy: -469.837
where: short stacking energy: -195.045
Base-Backbone interact. energy: 0.668
local terms energy: -231.588913
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -49.928
flat angles C4'-P-C4' energy: -56.659
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -51.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -705.542133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.542133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.542133 (E_RNA)
where:
Base-Base interactions energy: -487.500
where: short stacking energy: -199.521
Base-Backbone interact. energy: 0.772
local terms energy: -218.813934
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -42.971
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -48.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -506.511235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.511235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.511235 (E_RNA)
where:
Base-Base interactions energy: -305.653
where: short stacking energy: -152.731
Base-Backbone interact. energy: -0.800
local terms energy: -200.057900
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -53.299
flat angles C4'-P-C4' energy: -44.539
flat angles P-C4'-P energy: -28.777
tors. eta vs tors. theta energy: -36.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -220.549602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.549602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.549602 (E_RNA)
where:
Base-Base interactions energy: -74.774
where: short stacking energy: -64.478
Base-Backbone interact. energy: -0.153
local terms energy: -145.622570
where:
bonds (distance) C4'-P energy: -48.236
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -37.571
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: 5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -966.808238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.808238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.808238 (E_RNA)
where:
Base-Base interactions energy: -665.887
where: short stacking energy: -289.869
Base-Backbone interact. energy: -1.590
local terms energy: -299.331234
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -45.793
flat angles C4'-P-C4' energy: -66.026
flat angles P-C4'-P energy: -45.551
tors. eta vs tors. theta energy: -89.832
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: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -947.327315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.327315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.327315 (E_RNA)
where:
Base-Base interactions energy: -643.131
where: short stacking energy: -278.841
Base-Backbone interact. energy: -0.723
local terms energy: -303.473778
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -61.393
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -86.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -877.876609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.876609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.876609 (E_RNA)
where:
Base-Base interactions energy: -597.982
where: short stacking energy: -262.056
Base-Backbone interact. energy: -0.701
local terms energy: -279.193554
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -82.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -834.821536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.821536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.821536 (E_RNA)
where:
Base-Base interactions energy: -561.822
where: short stacking energy: -251.647
Base-Backbone interact. energy: -0.867
local terms energy: -272.132361
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -48.304
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -75.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -850.965077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.965077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.965077 (E_RNA)
where:
Base-Base interactions energy: -587.372
where: short stacking energy: -264.832
Base-Backbone interact. energy: -0.295
local terms energy: -263.297827
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -44.625
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -38.748
tors. eta vs tors. theta energy: -74.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -838.834954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.834954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.834954 (E_RNA)
where:
Base-Base interactions energy: -583.771
where: short stacking energy: -247.913
Base-Backbone interact. energy: -1.853
local terms energy: -253.210905
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -52.071
flat angles P-C4'-P energy: -27.066
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: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -779.309122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.309122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.309122 (E_RNA)
where:
Base-Base interactions energy: -550.272
where: short stacking energy: -232.920
Base-Backbone interact. energy: -0.922
local terms energy: -228.115352
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -63.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -715.807264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.807264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.807264 (E_RNA)
where:
Base-Base interactions energy: -484.205
where: short stacking energy: -205.276
Base-Backbone interact. energy: -0.470
local terms energy: -231.132352
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -42.088
flat angles C4'-P-C4' energy: -50.441
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -53.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -522.142416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.142416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.142416 (E_RNA)
where:
Base-Base interactions energy: -315.194
where: short stacking energy: -159.876
Base-Backbone interact. energy: 0.321
local terms energy: -207.269662
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -44.624
flat angles C4'-P-C4' energy: -41.933
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -36.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -246.249620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.249620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.249620 (E_RNA)
where:
Base-Base interactions energy: -84.318
where: short stacking energy: -70.490
Base-Backbone interact. energy: 0.963
local terms energy: -162.894768
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -50.907
flat angles C4'-P-C4' energy: -56.114
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: 4.930
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: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -964.721405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.721405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.721405 (E_RNA)
where:
Base-Base interactions energy: -674.151
where: short stacking energy: -304.065
Base-Backbone interact. energy: -0.620
local terms energy: -289.950367
where:
bonds (distance) C4'-P energy: -52.971
bonds (distance) P-C4' energy: -50.628
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -36.656
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: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -936.681585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.681585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.681585 (E_RNA)
where:
Base-Base interactions energy: -639.260
where: short stacking energy: -281.624
Base-Backbone interact. energy: -1.439
local terms energy: -295.982131
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -56.154
flat angles C4'-P-C4' energy: -63.979
flat angles P-C4'-P energy: -41.281
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -864.786559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.786559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.786559 (E_RNA)
where:
Base-Base interactions energy: -594.417
where: short stacking energy: -264.820
Base-Backbone interact. energy: -0.219
local terms energy: -270.149893
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -43.899
flat angles C4'-P-C4' energy: -59.454
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -80.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -834.822733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.822733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.822733 (E_RNA)
where:
Base-Base interactions energy: -560.840
where: short stacking energy: -232.402
Base-Backbone interact. energy: 0.304
local terms energy: -274.287035
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -55.949
flat angles C4'-P-C4' energy: -56.171
flat angles P-C4'-P energy: -42.261
tors. eta vs tors. theta energy: -70.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -809.764157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.764157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.764157 (E_RNA)
where:
Base-Base interactions energy: -554.685
where: short stacking energy: -227.160
Base-Backbone interact. energy: -0.623
local terms energy: -254.456556
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -38.226
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: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -814.761466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.761466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.761466 (E_RNA)
where:
Base-Base interactions energy: -563.616
where: short stacking energy: -234.022
Base-Backbone interact. energy: 0.018
local terms energy: -251.163214
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -48.169
flat angles C4'-P-C4' energy: -49.408
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -71.932
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: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -764.741330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.741330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.741330 (E_RNA)
where:
Base-Base interactions energy: -528.771
where: short stacking energy: -219.275
Base-Backbone interact. energy: -0.766
local terms energy: -235.204061
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -48.113
flat angles P-C4'-P energy: -44.563
tors. eta vs tors. theta energy: -57.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -685.991027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.991027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.991027 (E_RNA)
where:
Base-Base interactions energy: -465.651
where: short stacking energy: -188.141
Base-Backbone interact. energy: 1.004
local terms energy: -221.343196
where:
bonds (distance) C4'-P energy: -49.891
bonds (distance) P-C4' energy: -47.044
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -49.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -472.554599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.554599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.554599 (E_RNA)
where:
Base-Base interactions energy: -270.302
where: short stacking energy: -137.813
Base-Backbone interact. energy: -0.443
local terms energy: -201.808825
where:
bonds (distance) C4'-P energy: -47.267
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -36.600
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -28.942
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: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -237.977410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.977410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.977410 (E_RNA)
where:
Base-Base interactions energy: -87.813
where: short stacking energy: -75.332
Base-Backbone interact. energy: -0.905
local terms energy: -149.259441
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -45.975
flat angles C4'-P-C4' energy: -45.161
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: 3.609
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: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -973.244024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.244024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.244024 (E_RNA)
where:
Base-Base interactions energy: -669.438
where: short stacking energy: -291.340
Base-Backbone interact. energy: -1.019
local terms energy: -302.786206
where:
bonds (distance) C4'-P energy: -54.447
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -61.816
flat angles P-C4'-P energy: -48.137
tors. eta vs tors. theta energy: -88.563
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: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -964.494230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.494230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.494230 (E_RNA)
where:
Base-Base interactions energy: -670.117
where: short stacking energy: -300.152
Base-Backbone interact. energy: -0.549
local terms energy: -293.828619
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: -95.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -872.161357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.161357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.161357 (E_RNA)
where:
Base-Base interactions energy: -580.488
where: short stacking energy: -248.101
Base-Backbone interact. energy: 0.301
local terms energy: -291.975020
where:
bonds (distance) C4'-P energy: -51.252
bonds (distance) P-C4' energy: -53.831
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -49.297
tors. eta vs tors. theta energy: -76.015
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: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -827.460931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.460931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.460931 (E_RNA)
where:
Base-Base interactions energy: -569.028
where: short stacking energy: -245.611
Base-Backbone interact. energy: -1.290
local terms energy: -257.142393
where:
bonds (distance) C4'-P energy: -44.363
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -62.286
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -69.187
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: 294
Temperature: 1.100000
Total energy: -809.013419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.013419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.013419 (E_RNA)
where:
Base-Base interactions energy: -550.513
where: short stacking energy: -234.795
Base-Backbone interact. energy: -1.148
local terms energy: -257.352551
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -35.353
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: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -802.488436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.488436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.488436 (E_RNA)
where:
Base-Base interactions energy: -555.666
where: short stacking energy: -245.639
Base-Backbone interact. energy: -1.237
local terms energy: -245.585676
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -41.591
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -73.605
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: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -763.789781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.789781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.789781 (E_RNA)
where:
Base-Base interactions energy: -527.410
where: short stacking energy: -232.366
Base-Backbone interact. energy: -1.402
local terms energy: -234.977550
where:
bonds (distance) C4'-P energy: -36.254
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -35.470
tors. eta vs tors. theta energy: -59.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -684.255443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.255443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.255443 (E_RNA)
where:
Base-Base interactions energy: -472.708
where: short stacking energy: -195.389
Base-Backbone interact. energy: -1.124
local terms energy: -210.423564
where:
bonds (distance) C4'-P energy: -40.419
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -39.935
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -47.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -497.126146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.126146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.126146 (E_RNA)
where:
Base-Base interactions energy: -297.622
where: short stacking energy: -138.348
Base-Backbone interact. energy: -1.420
local terms energy: -198.083545
where:
bonds (distance) C4'-P energy: -44.927
bonds (distance) P-C4' energy: -50.375
flat angles C4'-P-C4' energy: -46.777
flat angles P-C4'-P energy: -30.993
tors. eta vs tors. theta energy: -25.011
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: 294
Temperature: 1.350000
Total energy: -258.615480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.615480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.615480 (E_RNA)
where:
Base-Base interactions energy: -112.397
where: short stacking energy: -72.843
Base-Backbone interact. energy: -0.892
local terms energy: -145.326498
where:
bonds (distance) C4'-P energy: -41.764
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -3.866
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: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -962.520069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.520069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.520069 (E_RNA)
where:
Base-Base interactions energy: -673.448
where: short stacking energy: -289.082
Base-Backbone interact. energy: -1.752
local terms energy: -287.320115
where:
bonds (distance) C4'-P energy: -51.332
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -91.802
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: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -950.548054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.548054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.548054 (E_RNA)
where:
Base-Base interactions energy: -653.729
where: short stacking energy: -289.596
Base-Backbone interact. energy: -1.502
local terms energy: -295.317546
where:
bonds (distance) C4'-P energy: -52.015
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -61.476
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -86.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -869.992298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.992298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.992298 (E_RNA)
where:
Base-Base interactions energy: -591.695
where: short stacking energy: -251.824
Base-Backbone interact. energy: -0.347
local terms energy: -277.950011
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -64.657
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: -76.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -840.290876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.290876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.290876 (E_RNA)
where:
Base-Base interactions energy: -574.826
where: short stacking energy: -243.248
Base-Backbone interact. energy: -1.876
local terms energy: -263.588773
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -66.729
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: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -811.824977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.824977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.824977 (E_RNA)
where:
Base-Base interactions energy: -546.109
where: short stacking energy: -236.184
Base-Backbone interact. energy: 2.645
local terms energy: -268.360334
where:
bonds (distance) C4'-P energy: -53.476
bonds (distance) P-C4' energy: -49.346
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -36.940
tors. eta vs tors. theta energy: -72.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -818.018571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.018571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.018571 (E_RNA)
where:
Base-Base interactions energy: -565.587
where: short stacking energy: -240.585
Base-Backbone interact. energy: -0.039
local terms energy: -252.392141
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -56.673
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -66.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -759.775301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.775301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.775301 (E_RNA)
where:
Base-Base interactions energy: -514.808
where: short stacking energy: -220.182
Base-Backbone interact. energy: -0.782
local terms energy: -244.184837
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -51.395
flat angles C4'-P-C4' energy: -45.979
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -64.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -681.826076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.826076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.826076 (E_RNA)
where:
Base-Base interactions energy: -464.906
where: short stacking energy: -182.858
Base-Backbone interact. energy: -0.796
local terms energy: -216.124263
where:
bonds (distance) C4'-P energy: -47.829
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -49.655
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -47.212
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: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -518.375007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.375007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.375007 (E_RNA)
where:
Base-Base interactions energy: -308.000
where: short stacking energy: -145.146
Base-Backbone interact. energy: 1.576
local terms energy: -211.951123
where:
bonds (distance) C4'-P energy: -54.631
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -49.124
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -31.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -229.350283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.350283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.350283 (E_RNA)
where:
Base-Base interactions energy: -89.924
where: short stacking energy: -86.147
Base-Backbone interact. energy: 0.265
local terms energy: -139.691979
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -36.521
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -968.202836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.202836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.202836 (E_RNA)
where:
Base-Base interactions energy: -661.074
where: short stacking energy: -280.108
Base-Backbone interact. energy: -1.377
local terms energy: -305.751982
where:
bonds (distance) C4'-P energy: -56.497
bonds (distance) P-C4' energy: -58.810
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -46.391
tors. eta vs tors. theta energy: -89.394
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -941.822685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.822685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.822685 (E_RNA)
where:
Base-Base interactions energy: -659.397
where: short stacking energy: -284.816
Base-Backbone interact. energy: -2.255
local terms energy: -280.170133
where:
bonds (distance) C4'-P energy: -50.932
bonds (distance) P-C4' energy: -52.859
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -85.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -873.588173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.588173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.588173 (E_RNA)
where:
Base-Base interactions energy: -594.269
where: short stacking energy: -255.818
Base-Backbone interact. energy: -0.713
local terms energy: -278.606057
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -58.167
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -76.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -836.045550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.045550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.045550 (E_RNA)
where:
Base-Base interactions energy: -567.318
where: short stacking energy: -259.092
Base-Backbone interact. energy: -0.812
local terms energy: -267.915537
where:
bonds (distance) C4'-P energy: -58.551
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -76.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -799.064087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.064087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.064087 (E_RNA)
where:
Base-Base interactions energy: -526.909
where: short stacking energy: -228.697
Base-Backbone interact. energy: -0.232
local terms energy: -271.923350
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -55.550
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -69.575
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: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -776.904520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.904520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.904520 (E_RNA)
where:
Base-Base interactions energy: -529.242
where: short stacking energy: -231.799
Base-Backbone interact. energy: -0.972
local terms energy: -246.690737
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -46.039
flat angles C4'-P-C4' energy: -54.967
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -64.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -772.489266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.489266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.489266 (E_RNA)
where:
Base-Base interactions energy: -528.078
where: short stacking energy: -236.279
Base-Backbone interact. energy: -0.418
local terms energy: -243.992959
where:
bonds (distance) C4'-P energy: -40.542
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -70.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -657.960364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.960364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.960364 (E_RNA)
where:
Base-Base interactions energy: -437.976
where: short stacking energy: -181.136
Base-Backbone interact. energy: -0.758
local terms energy: -219.225784
where:
bonds (distance) C4'-P energy: -49.222
bonds (distance) P-C4' energy: -50.824
flat angles C4'-P-C4' energy: -48.900
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -42.672
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: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -524.900486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.900486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.900486 (E_RNA)
where:
Base-Base interactions energy: -338.219
where: short stacking energy: -148.407
Base-Backbone interact. energy: -0.059
local terms energy: -186.622650
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -32.956
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: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -209.664339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.664339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.664339 (E_RNA)
where:
Base-Base interactions energy: -61.569
where: short stacking energy: -42.512
Base-Backbone interact. energy: 1.289
local terms energy: -149.383828
where:
bonds (distance) C4'-P energy: -58.778
bonds (distance) P-C4' energy: -44.583
flat angles C4'-P-C4' energy: -38.596
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: 11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -973.548492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.548492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.548492 (E_RNA)
where:
Base-Base interactions energy: -669.640
where: short stacking energy: -297.786
Base-Backbone interact. energy: 0.910
local terms energy: -304.818316
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -65.456
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -93.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -912.475062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.475062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.475062 (E_RNA)
where:
Base-Base interactions energy: -612.028
where: short stacking energy: -273.296
Base-Backbone interact. energy: -0.326
local terms energy: -300.121042
where:
bonds (distance) C4'-P energy: -58.150
bonds (distance) P-C4' energy: -48.683
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -87.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -921.813839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.813839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.813839 (E_RNA)
where:
Base-Base interactions energy: -626.054
where: short stacking energy: -281.800
Base-Backbone interact. energy: -0.936
local terms energy: -294.823973
where:
bonds (distance) C4'-P energy: -51.138
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -42.626
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: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -862.563719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.563719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.563719 (E_RNA)
where:
Base-Base interactions energy: -605.859
where: short stacking energy: -258.191
Base-Backbone interact. energy: -0.310
local terms energy: -256.394645
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -56.871
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -45.883
tors. eta vs tors. theta energy: -68.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -801.250559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.250559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.250559 (E_RNA)
where:
Base-Base interactions energy: -536.061
where: short stacking energy: -222.908
Base-Backbone interact. energy: -1.253
local terms energy: -263.936765
where:
bonds (distance) C4'-P energy: -41.819
bonds (distance) P-C4' energy: -54.737
flat angles C4'-P-C4' energy: -62.045
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -73.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -830.797602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.797602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.797602 (E_RNA)
where:
Base-Base interactions energy: -573.254
where: short stacking energy: -251.170
Base-Backbone interact. energy: -0.942
local terms energy: -256.601934
where:
bonds (distance) C4'-P energy: -49.926
bonds (distance) P-C4' energy: -46.037
flat angles C4'-P-C4' energy: -51.209
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -71.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -723.650882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.650882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.650882 (E_RNA)
where:
Base-Base interactions energy: -485.333
where: short stacking energy: -198.424
Base-Backbone interact. energy: -1.805
local terms energy: -236.512209
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -48.915
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -753.736237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.736237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.736237 (E_RNA)
where:
Base-Base interactions energy: -489.816
where: short stacking energy: -206.324
Base-Backbone interact. energy: 0.529
local terms energy: -264.449288
where:
bonds (distance) C4'-P energy: -46.586
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -56.872
flat angles P-C4'-P energy: -36.964
tors. eta vs tors. theta energy: -66.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -544.854993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.854993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.854993 (E_RNA)
where:
Base-Base interactions energy: -348.202
where: short stacking energy: -167.516
Base-Backbone interact. energy: -1.014
local terms energy: -195.639418
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -39.116
flat angles C4'-P-C4' energy: -50.287
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -36.987
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: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -214.315757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315757 (E_RNA)
where:
Base-Base interactions energy: -65.663
where: short stacking energy: -61.884
Base-Backbone interact. energy: -1.136
local terms energy: -147.515902
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -37.327
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: 6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -909.926596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.926596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.926596 (E_RNA)
where:
Base-Base interactions energy: -631.766
where: short stacking energy: -275.174
Base-Backbone interact. energy: -0.274
local terms energy: -277.886045
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -47.427
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: -76.966
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -956.715601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.715601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.715601 (E_RNA)
where:
Base-Base interactions energy: -654.436
where: short stacking energy: -283.271
Base-Backbone interact. energy: 0.869
local terms energy: -303.148717
where:
bonds (distance) C4'-P energy: -50.320
bonds (distance) P-C4' energy: -53.555
flat angles C4'-P-C4' energy: -63.140
flat angles P-C4'-P energy: -45.883
tors. eta vs tors. theta energy: -90.250
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: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -923.781980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.781980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.781980 (E_RNA)
where:
Base-Base interactions energy: -624.191
where: short stacking energy: -283.461
Base-Backbone interact. energy: -2.240
local terms energy: -297.351204
where:
bonds (distance) C4'-P energy: -51.433
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -58.765
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -90.929
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: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -856.131902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.131902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.131902 (E_RNA)
where:
Base-Base interactions energy: -577.775
where: short stacking energy: -251.031
Base-Backbone interact. energy: -1.726
local terms energy: -276.630943
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -74.007
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: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -830.901535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.901535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.901535 (E_RNA)
where:
Base-Base interactions energy: -563.807
where: short stacking energy: -240.830
Base-Backbone interact. energy: -0.648
local terms energy: -266.446962
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -36.296
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -802.105304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.105304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.105304 (E_RNA)
where:
Base-Base interactions energy: -535.981
where: short stacking energy: -220.988
Base-Backbone interact. energy: -0.819
local terms energy: -265.306106
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -42.184
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: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -759.510467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.510467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.510467 (E_RNA)
where:
Base-Base interactions energy: -515.435
where: short stacking energy: -219.518
Base-Backbone interact. energy: -1.092
local terms energy: -242.982691
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -29.881
tors. eta vs tors. theta energy: -65.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -713.098121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.098121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.098121 (E_RNA)
where:
Base-Base interactions energy: -508.568
where: short stacking energy: -211.521
Base-Backbone interact. energy: 2.731
local terms energy: -207.260676
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -43.592
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -41.346
tors. eta vs tors. theta energy: -47.390
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -499.581625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.581625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.581625 (E_RNA)
where:
Base-Base interactions energy: -302.957
where: short stacking energy: -141.505
Base-Backbone interact. energy: 1.155
local terms energy: -197.780235
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -26.882
tors. eta vs tors. theta energy: -34.499
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: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -297.553636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.553636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.553636 (E_RNA)
where:
Base-Base interactions energy: -140.783
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.871
local terms energy: -155.899685
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -8.251
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: 299
Temperature: 0.900000
Total energy: -902.198776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.198776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.198776 (E_RNA)
where:
Base-Base interactions energy: -628.139
where: short stacking energy: -274.473
Base-Backbone interact. energy: 0.008
local terms energy: -274.067153
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -56.114
flat angles P-C4'-P energy: -40.639
tors. eta vs tors. theta energy: -75.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -936.197216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.197216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.197216 (E_RNA)
where:
Base-Base interactions energy: -653.374
where: short stacking energy: -269.454
Base-Backbone interact. energy: -0.803
local terms energy: -282.020285
where:
bonds (distance) C4'-P energy: -51.495
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -33.903
tors. eta vs tors. theta energy: -86.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -919.701008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.701008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.701008 (E_RNA)
where:
Base-Base interactions energy: -636.602
where: short stacking energy: -290.208
Base-Backbone interact. energy: -0.578
local terms energy: -282.521304
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -54.735
flat angles C4'-P-C4' energy: -59.947
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: -84.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -842.865351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.865351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.865351 (E_RNA)
where:
Base-Base interactions energy: -575.783
where: short stacking energy: -264.792
Base-Backbone interact. energy: -1.030
local terms energy: -266.052210
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -40.407
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -76.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -821.723517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.723517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.723517 (E_RNA)
where:
Base-Base interactions energy: -567.661
where: short stacking energy: -239.625
Base-Backbone interact. energy: 0.448
local terms energy: -254.510565
where:
bonds (distance) C4'-P energy: -47.680
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -64.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -810.669092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.669092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.669092 (E_RNA)
where:
Base-Base interactions energy: -559.219
where: short stacking energy: -252.315
Base-Backbone interact. energy: 0.836
local terms energy: -252.286602
where:
bonds (distance) C4'-P energy: -54.062
bonds (distance) P-C4' energy: -34.692
flat angles C4'-P-C4' energy: -56.385
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -75.249
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: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -709.369488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.369488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.369488 (E_RNA)
where:
Base-Base interactions energy: -493.449
where: short stacking energy: -192.588
Base-Backbone interact. energy: -0.977
local terms energy: -214.943876
where:
bonds (distance) C4'-P energy: -44.825
bonds (distance) P-C4' energy: -48.475
flat angles C4'-P-C4' energy: -42.726
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -43.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -751.348340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.348340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.348340 (E_RNA)
where:
Base-Base interactions energy: -497.676
where: short stacking energy: -208.448
Base-Backbone interact. energy: -0.929
local terms energy: -252.742917
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -42.249
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: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -506.832795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.832795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.832795 (E_RNA)
where:
Base-Base interactions energy: -318.306
where: short stacking energy: -147.308
Base-Backbone interact. energy: -1.708
local terms energy: -186.818734
where:
bonds (distance) C4'-P energy: -46.699
bonds (distance) P-C4' energy: -39.168
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -293.583804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.583804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.583804 (E_RNA)
where:
Base-Base interactions energy: -137.286
where: short stacking energy: -99.160
Base-Backbone interact. energy: 1.280
local terms energy: -157.578115
where:
bonds (distance) C4'-P energy: -43.608
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -49.078
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -931.157810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.157810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.157810 (E_RNA)
where:
Base-Base interactions energy: -630.076
where: short stacking energy: -288.217
Base-Backbone interact. energy: -0.763
local terms energy: -300.318499
where:
bonds (distance) C4'-P energy: -53.666
bonds (distance) P-C4' energy: -57.095
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -49.555
tors. eta vs tors. theta energy: -77.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -945.367701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.367701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.367701 (E_RNA)
where:
Base-Base interactions energy: -656.745
where: short stacking energy: -286.188
Base-Backbone interact. energy: -0.324
local terms energy: -288.298646
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -60.800
flat angles P-C4'-P energy: -46.110
tors. eta vs tors. theta energy: -80.331
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: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -917.373625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.373625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.373625 (E_RNA)
where:
Base-Base interactions energy: -640.150
where: short stacking energy: -277.794
Base-Backbone interact. energy: -1.480
local terms energy: -275.742956
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -49.062
flat angles C4'-P-C4' energy: -52.193
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -82.156
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: 300
Temperature: 1.050000
Total energy: -858.199858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.199858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.199858 (E_RNA)
where:
Base-Base interactions energy: -587.713
where: short stacking energy: -250.708
Base-Backbone interact. energy: -0.763
local terms energy: -269.723933
where:
bonds (distance) C4'-P energy: -44.554
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -46.256
tors. eta vs tors. theta energy: -74.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -838.187168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.187168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.187168 (E_RNA)
where:
Base-Base interactions energy: -579.748
where: short stacking energy: -250.248
Base-Backbone interact. energy: 3.691
local terms energy: -262.129672
where:
bonds (distance) C4'-P energy: -46.161
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -32.487
tors. eta vs tors. theta energy: -71.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -807.630097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.630097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.630097 (E_RNA)
where:
Base-Base interactions energy: -556.975
where: short stacking energy: -237.617
Base-Backbone interact. energy: -0.497
local terms energy: -250.157996
where:
bonds (distance) C4'-P energy: -53.205
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -46.406
flat angles P-C4'-P energy: -33.811
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -689.391101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.391101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.391101 (E_RNA)
where:
Base-Base interactions energy: -472.937
where: short stacking energy: -188.824
Base-Backbone interact. energy: -0.972
local terms energy: -215.482419
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -40.681
tors. eta vs tors. theta energy: -38.455
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: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -694.214661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.214661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.214661 (E_RNA)
where:
Base-Base interactions energy: -462.191
where: short stacking energy: -182.572
Base-Backbone interact. energy: 2.029
local terms energy: -234.052782
where:
bonds (distance) C4'-P energy: -43.121
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -48.247
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -55.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -500.305427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.305427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.305427 (E_RNA)
where:
Base-Base interactions energy: -318.146
where: short stacking energy: -153.555
Base-Backbone interact. energy: -0.419
local terms energy: -181.740861
where:
bonds (distance) C4'-P energy: -45.014
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -290.060036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.060036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.060036 (E_RNA)
where:
Base-Base interactions energy: -139.230
where: short stacking energy: -72.269
Base-Backbone interact. energy: 2.179
local terms energy: -153.009477
where:
bonds (distance) C4'-P energy: -42.307
bonds (distance) P-C4' energy: -49.590
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -913.777119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.777119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.777119 (E_RNA)
where:
Base-Base interactions energy: -629.053
where: short stacking energy: -278.390
Base-Backbone interact. energy: -0.502
local terms energy: -284.221536
where:
bonds (distance) C4'-P energy: -55.689
bonds (distance) P-C4' energy: -52.459
flat angles C4'-P-C4' energy: -58.206
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -85.393
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: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -940.869320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.869320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.869320 (E_RNA)
where:
Base-Base interactions energy: -652.436
where: short stacking energy: -284.816
Base-Backbone interact. energy: -1.093
local terms energy: -287.340657
where:
bonds (distance) C4'-P energy: -51.746
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -60.769
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -86.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -913.730727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.730727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.730727 (E_RNA)
where:
Base-Base interactions energy: -629.189
where: short stacking energy: -278.437
Base-Backbone interact. energy: -0.845
local terms energy: -283.696721
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -62.984
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -78.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -862.195481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.195481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.195481 (E_RNA)
where:
Base-Base interactions energy: -594.824
where: short stacking energy: -256.849
Base-Backbone interact. energy: -0.892
local terms energy: -266.479596
where:
bonds (distance) C4'-P energy: -40.687
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -50.932
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -76.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -829.643379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.643379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.643379 (E_RNA)
where:
Base-Base interactions energy: -568.758
where: short stacking energy: -249.498
Base-Backbone interact. energy: 0.025
local terms energy: -260.910003
where:
bonds (distance) C4'-P energy: -46.666
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -51.232
flat angles P-C4'-P energy: -36.744
tors. eta vs tors. theta energy: -73.918
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -809.647398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.647398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.647398 (E_RNA)
where:
Base-Base interactions energy: -554.300
where: short stacking energy: -248.054
Base-Backbone interact. energy: -0.803
local terms energy: -254.544429
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -62.517
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -68.620
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: 301
Temperature: 1.200000
Total energy: -688.597653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.597653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.597653 (E_RNA)
where:
Base-Base interactions energy: -468.301
where: short stacking energy: -193.487
Base-Backbone interact. energy: -0.593
local terms energy: -219.704197
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -50.339
flat angles C4'-P-C4' energy: -55.549
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -35.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -715.172195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.172195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.172195 (E_RNA)
where:
Base-Base interactions energy: -501.639
where: short stacking energy: -208.975
Base-Backbone interact. energy: -0.525
local terms energy: -213.007849
where:
bonds (distance) C4'-P energy: -32.982
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -52.857
flat angles P-C4'-P energy: -41.415
tors. eta vs tors. theta energy: -48.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -506.322164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.322164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.322164 (E_RNA)
where:
Base-Base interactions energy: -320.932
where: short stacking energy: -161.152
Base-Backbone interact. energy: -0.327
local terms energy: -185.062710
where:
bonds (distance) C4'-P energy: -48.615
bonds (distance) P-C4' energy: -34.744
flat angles C4'-P-C4' energy: -48.555
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -28.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -289.840148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.840148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.840148 (E_RNA)
where:
Base-Base interactions energy: -128.969
where: short stacking energy: -63.313
Base-Backbone interact. energy: -2.095
local terms energy: -158.776646
where:
bonds (distance) C4'-P energy: -33.860
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -3.351
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: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -975.851148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.851148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.851148 (E_RNA)
where:
Base-Base interactions energy: -668.672
where: short stacking energy: -288.380
Base-Backbone interact. energy: -0.614
local terms energy: -306.564992
where:
bonds (distance) C4'-P energy: -59.849
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -62.271
flat angles P-C4'-P energy: -44.072
tors. eta vs tors. theta energy: -85.949
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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -923.231643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.231643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.231643 (E_RNA)
where:
Base-Base interactions energy: -624.494
where: short stacking energy: -269.265
Base-Backbone interact. energy: -0.302
local terms energy: -298.434876
where:
bonds (distance) C4'-P energy: -55.064
bonds (distance) P-C4' energy: -53.339
flat angles C4'-P-C4' energy: -66.362
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -82.712
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: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -915.835686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.835686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.835686 (E_RNA)
where:
Base-Base interactions energy: -641.439
where: short stacking energy: -278.044
Base-Backbone interact. energy: -0.623
local terms energy: -273.774102
where:
bonds (distance) C4'-P energy: -42.281
bonds (distance) P-C4' energy: -57.855
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -37.081
tors. eta vs tors. theta energy: -79.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -865.670711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.670711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.670711 (E_RNA)
where:
Base-Base interactions energy: -603.163
where: short stacking energy: -241.611
Base-Backbone interact. energy: -1.233
local terms energy: -261.275451
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -68.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -833.419851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.419851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.419851 (E_RNA)
where:
Base-Base interactions energy: -563.261
where: short stacking energy: -248.323
Base-Backbone interact. energy: -1.950
local terms energy: -268.208867
where:
bonds (distance) C4'-P energy: -45.732
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -55.128
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -73.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -809.285893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.285893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.285893 (E_RNA)
where:
Base-Base interactions energy: -553.893
where: short stacking energy: -242.301
Base-Backbone interact. energy: 1.250
local terms energy: -256.642897
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -48.540
flat angles C4'-P-C4' energy: -63.387
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -71.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -697.477459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.477459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.477459 (E_RNA)
where:
Base-Base interactions energy: -491.734
where: short stacking energy: -180.596
Base-Backbone interact. energy: 0.400
local terms energy: -206.143201
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -44.159
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: -41.045
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: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -699.254395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.254395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.254395 (E_RNA)
where:
Base-Base interactions energy: -452.247
where: short stacking energy: -186.735
Base-Backbone interact. energy: -1.388
local terms energy: -245.619666
where:
bonds (distance) C4'-P energy: -55.110
bonds (distance) P-C4' energy: -55.774
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -52.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -535.326127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.326127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.326127 (E_RNA)
where:
Base-Base interactions energy: -337.589
where: short stacking energy: -146.480
Base-Backbone interact. energy: -2.221
local terms energy: -195.516000
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -56.296
flat angles C4'-P-C4' energy: -36.221
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -32.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -323.214295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.214295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.214295 (E_RNA)
where:
Base-Base interactions energy: -158.115
where: short stacking energy: -81.081
Base-Backbone interact. energy: 3.176
local terms energy: -168.275555
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -44.191
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -975.473090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.473090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.473090 (E_RNA)
where:
Base-Base interactions energy: -674.353
where: short stacking energy: -290.656
Base-Backbone interact. energy: -0.521
local terms energy: -300.599511
where:
bonds (distance) C4'-P energy: -56.033
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -57.149
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -92.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -938.653367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.653367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.653367 (E_RNA)
where:
Base-Base interactions energy: -642.293
where: short stacking energy: -282.378
Base-Backbone interact. energy: -1.719
local terms energy: -294.641431
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -89.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -879.860914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.860914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.860914 (E_RNA)
where:
Base-Base interactions energy: -599.884
where: short stacking energy: -247.410
Base-Backbone interact. energy: -0.740
local terms energy: -279.236853
where:
bonds (distance) C4'-P energy: -53.073
bonds (distance) P-C4' energy: -52.678
flat angles C4'-P-C4' energy: -60.120
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -75.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -847.540987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.540987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.540987 (E_RNA)
where:
Base-Base interactions energy: -572.754
where: short stacking energy: -242.391
Base-Backbone interact. energy: 2.367
local terms energy: -277.154040
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -60.527
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -70.675
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -832.843916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.843916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.843916 (E_RNA)
where:
Base-Base interactions energy: -569.818
where: short stacking energy: -252.332
Base-Backbone interact. energy: -2.040
local terms energy: -260.986429
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -55.159
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -67.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -766.476545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.476545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.476545 (E_RNA)
where:
Base-Base interactions energy: -521.364
where: short stacking energy: -218.104
Base-Backbone interact. energy: -0.660
local terms energy: -244.452561
where:
bonds (distance) C4'-P energy: -52.661
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -47.359
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -62.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -753.976132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.976132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.976132 (E_RNA)
where:
Base-Base interactions energy: -515.337
where: short stacking energy: -217.761
Base-Backbone interact. energy: -0.691
local terms energy: -237.947782
where:
bonds (distance) C4'-P energy: -47.675
bonds (distance) P-C4' energy: -55.107
flat angles C4'-P-C4' energy: -52.122
flat angles P-C4'-P energy: -30.668
tors. eta vs tors. theta energy: -52.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -687.796016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.796016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.796016 (E_RNA)
where:
Base-Base interactions energy: -464.611
where: short stacking energy: -180.032
Base-Backbone interact. energy: 0.773
local terms energy: -223.957658
where:
bonds (distance) C4'-P energy: -45.641
bonds (distance) P-C4' energy: -49.454
flat angles C4'-P-C4' energy: -45.725
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -49.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -556.560782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.560782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.560782 (E_RNA)
where:
Base-Base interactions energy: -363.492
where: short stacking energy: -155.204
Base-Backbone interact. energy: 2.068
local terms energy: -195.137364
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -38.636
flat angles C4'-P-C4' energy: -45.945
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -38.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -284.106225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.106225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.106225 (E_RNA)
where:
Base-Base interactions energy: -115.560
where: short stacking energy: -58.237
Base-Backbone interact. energy: 0.488
local terms energy: -169.033734
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -977.387194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.387194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.387194 (E_RNA)
where:
Base-Base interactions energy: -679.903
where: short stacking energy: -288.369
Base-Backbone interact. energy: -1.105
local terms energy: -296.380039
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -36.931
tors. eta vs tors. theta energy: -90.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -949.089985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.089985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.089985 (E_RNA)
where:
Base-Base interactions energy: -656.259
where: short stacking energy: -297.621
Base-Backbone interact. energy: -0.915
local terms energy: -291.916011
where:
bonds (distance) C4'-P energy: -54.655
bonds (distance) P-C4' energy: -54.882
flat angles C4'-P-C4' energy: -58.517
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -87.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -883.310946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.310946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.310946 (E_RNA)
where:
Base-Base interactions energy: -606.673
where: short stacking energy: -270.867
Base-Backbone interact. energy: -0.529
local terms energy: -276.108343
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -45.935
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -79.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -865.312382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.312382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.312382 (E_RNA)
where:
Base-Base interactions energy: -605.258
where: short stacking energy: -254.273
Base-Backbone interact. energy: -0.850
local terms energy: -259.204249
where:
bonds (distance) C4'-P energy: -50.342
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -53.003
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: -74.298
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: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -847.057107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.057107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.057107 (E_RNA)
where:
Base-Base interactions energy: -564.816
where: short stacking energy: -254.950
Base-Backbone interact. energy: -0.834
local terms energy: -281.406793
where:
bonds (distance) C4'-P energy: -53.482
bonds (distance) P-C4' energy: -57.870
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -81.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -781.935078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.935078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.935078 (E_RNA)
where:
Base-Base interactions energy: -525.629
where: short stacking energy: -232.859
Base-Backbone interact. energy: -1.142
local terms energy: -255.163449
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -54.586
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -68.229
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: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -717.676168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.676168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.676168 (E_RNA)
where:
Base-Base interactions energy: -490.427
where: short stacking energy: -197.663
Base-Backbone interact. energy: -0.515
local terms energy: -226.734139
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -58.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -700.132497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.132497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.132497 (E_RNA)
where:
Base-Base interactions energy: -475.219
where: short stacking energy: -192.557
Base-Backbone interact. energy: 0.421
local terms energy: -225.334976
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -47.144
flat angles C4'-P-C4' energy: -49.161
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: -49.709
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -570.082212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.082212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.082212 (E_RNA)
where:
Base-Base interactions energy: -365.815
where: short stacking energy: -164.702
Base-Backbone interact. energy: -0.420
local terms energy: -203.847297
where:
bonds (distance) C4'-P energy: -60.020
bonds (distance) P-C4' energy: -36.189
flat angles C4'-P-C4' energy: -45.662
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -37.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -234.849258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.849258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.849258 (E_RNA)
where:
Base-Base interactions energy: -70.721
where: short stacking energy: -71.133
Base-Backbone interact. energy: 5.450
local terms energy: -169.578575
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -37.834
flat angles P-C4'-P energy: -34.988
tors. eta vs tors. theta energy: 2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -961.152477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.152477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.152477 (E_RNA)
where:
Base-Base interactions energy: -678.642
where: short stacking energy: -299.283
Base-Backbone interact. energy: -1.608
local terms energy: -280.902570
where:
bonds (distance) C4'-P energy: -46.852
bonds (distance) P-C4' energy: -50.324
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -91.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -936.356198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.356198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.356198 (E_RNA)
where:
Base-Base interactions energy: -638.266
where: short stacking energy: -280.670
Base-Backbone interact. energy: -0.578
local terms energy: -297.511501
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -53.807
flat angles C4'-P-C4' energy: -63.238
flat angles P-C4'-P energy: -41.009
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: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -863.217348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.217348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.217348 (E_RNA)
where:
Base-Base interactions energy: -595.339
where: short stacking energy: -256.780
Base-Backbone interact. energy: -0.484
local terms energy: -267.394692
where:
bonds (distance) C4'-P energy: -51.739
bonds (distance) P-C4' energy: -47.027
flat angles C4'-P-C4' energy: -58.623
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -75.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -872.198990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.198990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.198990 (E_RNA)
where:
Base-Base interactions energy: -608.746
where: short stacking energy: -273.369
Base-Backbone interact. energy: 0.829
local terms energy: -264.282169
where:
bonds (distance) C4'-P energy: -43.918
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -38.182
tors. eta vs tors. theta energy: -78.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -833.134930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.134930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.134930 (E_RNA)
where:
Base-Base interactions energy: -575.170
where: short stacking energy: -241.568
Base-Backbone interact. energy: -0.935
local terms energy: -257.029586
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -49.800
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -36.993
tors. eta vs tors. theta energy: -73.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -788.412698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.412698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.412698 (E_RNA)
where:
Base-Base interactions energy: -550.292
where: short stacking energy: -236.870
Base-Backbone interact. energy: -1.052
local terms energy: -237.068585
where:
bonds (distance) C4'-P energy: -36.778
bonds (distance) P-C4' energy: -39.772
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -66.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -739.731125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.731125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.731125 (E_RNA)
where:
Base-Base interactions energy: -506.219
where: short stacking energy: -206.214
Base-Backbone interact. energy: -0.813
local terms energy: -232.698763
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -55.772
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -61.026
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: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -657.058890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.058890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.058890 (E_RNA)
where:
Base-Base interactions energy: -441.282
where: short stacking energy: -188.184
Base-Backbone interact. energy: 1.333
local terms energy: -217.110253
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -597.597684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.597684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.597684 (E_RNA)
where:
Base-Base interactions energy: -379.473
where: short stacking energy: -176.989
Base-Backbone interact. energy: -0.808
local terms energy: -217.316618
where:
bonds (distance) C4'-P energy: -40.811
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -49.578
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -49.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -218.438451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.438451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.438451 (E_RNA)
where:
Base-Base interactions energy: -68.686
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.729
local terms energy: -149.023322
where:
bonds (distance) C4'-P energy: -49.723
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: 1.179
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: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -964.154298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.154298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.154298 (E_RNA)
where:
Base-Base interactions energy: -650.029
where: short stacking energy: -295.986
Base-Backbone interact. energy: -0.684
local terms energy: -313.441892
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -55.386
flat angles C4'-P-C4' energy: -59.720
flat angles P-C4'-P energy: -49.512
tors. eta vs tors. theta energy: -90.690
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: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -958.891232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.891232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.891232 (E_RNA)
where:
Base-Base interactions energy: -659.473
where: short stacking energy: -275.279
Base-Backbone interact. energy: -1.180
local terms energy: -298.237697
where:
bonds (distance) C4'-P energy: -49.656
bonds (distance) P-C4' energy: -55.589
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -87.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -894.566022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.566022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.566022 (E_RNA)
where:
Base-Base interactions energy: -598.940
where: short stacking energy: -261.975
Base-Backbone interact. energy: -0.319
local terms energy: -295.306997
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -60.430
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -82.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -868.358737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.358737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.358737 (E_RNA)
where:
Base-Base interactions energy: -587.843
where: short stacking energy: -262.121
Base-Backbone interact. energy: -0.536
local terms energy: -279.980220
where:
bonds (distance) C4'-P energy: -44.583
bonds (distance) P-C4' energy: -57.404
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -77.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -812.128966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.128966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.128966 (E_RNA)
where:
Base-Base interactions energy: -558.430
where: short stacking energy: -253.070
Base-Backbone interact. energy: -0.243
local terms energy: -253.456384
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -35.139
tors. eta vs tors. theta energy: -70.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -822.244147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.244147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.244147 (E_RNA)
where:
Base-Base interactions energy: -575.238
where: short stacking energy: -242.855
Base-Backbone interact. energy: -0.607
local terms energy: -246.399613
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -46.048
flat angles C4'-P-C4' energy: -50.901
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -75.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -780.570723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.570723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.570723 (E_RNA)
where:
Base-Base interactions energy: -526.968
where: short stacking energy: -210.800
Base-Backbone interact. energy: 0.541
local terms energy: -254.143701
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -47.232
flat angles C4'-P-C4' energy: -56.219
flat angles P-C4'-P energy: -35.489
tors. eta vs tors. theta energy: -72.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -659.983044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.983044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.983044 (E_RNA)
where:
Base-Base interactions energy: -445.135
where: short stacking energy: -186.438
Base-Backbone interact. energy: -1.926
local terms energy: -212.922252
where:
bonds (distance) C4'-P energy: -42.732
bonds (distance) P-C4' energy: -51.827
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: -47.043
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: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -576.275712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.275712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.275712 (E_RNA)
where:
Base-Base interactions energy: -358.140
where: short stacking energy: -155.518
Base-Backbone interact. energy: -1.738
local terms energy: -216.397499
where:
bonds (distance) C4'-P energy: -52.953
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -37.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -228.459851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459851 (E_RNA)
where:
Base-Base interactions energy: -65.991
where: short stacking energy: -61.254
Base-Backbone interact. energy: 0.678
local terms energy: -163.147257
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -47.567
flat angles C4'-P-C4' energy: -41.909
flat angles P-C4'-P energy: -28.262
tors. eta vs tors. theta energy: 5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -984.701824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.701824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.701824 (E_RNA)
where:
Base-Base interactions energy: -683.641
where: short stacking energy: -311.637
Base-Backbone interact. energy: -0.729
local terms energy: -300.331852
where:
bonds (distance) C4'-P energy: -52.586
bonds (distance) P-C4' energy: -46.546
flat angles C4'-P-C4' energy: -69.998
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -90.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -899.742318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.742318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.742318 (E_RNA)
where:
Base-Base interactions energy: -614.398
where: short stacking energy: -261.215
Base-Backbone interact. energy: -0.499
local terms energy: -284.845962
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -48.259
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -76.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -941.901565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.901565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.901565 (E_RNA)
where:
Base-Base interactions energy: -655.609
where: short stacking energy: -295.816
Base-Backbone interact. energy: -1.424
local terms energy: -284.868602
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -59.985
flat angles P-C4'-P energy: -38.509
tors. eta vs tors. theta energy: -86.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -860.647910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.647910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.647910 (E_RNA)
where:
Base-Base interactions energy: -582.094
where: short stacking energy: -255.174
Base-Backbone interact. energy: 0.045
local terms energy: -278.598471
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -46.154
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -45.731
tors. eta vs tors. theta energy: -77.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -819.401903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.401903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.401903 (E_RNA)
where:
Base-Base interactions energy: -561.297
where: short stacking energy: -254.201
Base-Backbone interact. energy: -1.862
local terms energy: -256.242734
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -54.272
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -31.782
tors. eta vs tors. theta energy: -68.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -803.464760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.464760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.464760 (E_RNA)
where:
Base-Base interactions energy: -554.715
where: short stacking energy: -226.758
Base-Backbone interact. energy: -0.674
local terms energy: -248.075503
where:
bonds (distance) C4'-P energy: -54.533
bonds (distance) P-C4' energy: -41.724
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: -67.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -768.447459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.447459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.447459 (E_RNA)
where:
Base-Base interactions energy: -527.677
where: short stacking energy: -219.744
Base-Backbone interact. energy: 0.616
local terms energy: -241.385684
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -58.161
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -31.400
tors. eta vs tors. theta energy: -62.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -697.081768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.081768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.081768 (E_RNA)
where:
Base-Base interactions energy: -479.329
where: short stacking energy: -188.321
Base-Backbone interact. energy: -0.480
local terms energy: -217.272764
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -41.714
flat angles C4'-P-C4' energy: -45.482
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -50.175
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: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -539.516728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.516728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.516728 (E_RNA)
where:
Base-Base interactions energy: -350.912
where: short stacking energy: -165.131
Base-Backbone interact. energy: 4.319
local terms energy: -192.923711
where:
bonds (distance) C4'-P energy: -45.041
bonds (distance) P-C4' energy: -34.459
flat angles C4'-P-C4' energy: -51.830
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -29.180
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -217.439896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.439896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.439896 (E_RNA)
where:
Base-Base interactions energy: -77.259
where: short stacking energy: -54.022
Base-Backbone interact. energy: 3.097
local terms energy: -143.277696
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: 4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -979.011681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.011681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.011681 (E_RNA)
where:
Base-Base interactions energy: -671.708
where: short stacking energy: -289.892
Base-Backbone interact. energy: -1.990
local terms energy: -305.313467
where:
bonds (distance) C4'-P energy: -60.001
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -62.245
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -90.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -899.626675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.626675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.626675 (E_RNA)
where:
Base-Base interactions energy: -605.319
where: short stacking energy: -268.532
Base-Backbone interact. energy: -0.405
local terms energy: -293.902562
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -55.220
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -41.470
tors. eta vs tors. theta energy: -84.566
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: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -936.031947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.031947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.031947 (E_RNA)
where:
Base-Base interactions energy: -639.225
where: short stacking energy: -275.898
Base-Backbone interact. energy: -0.507
local terms energy: -296.300866
where:
bonds (distance) C4'-P energy: -52.963
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -88.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -854.717201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.717201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.717201 (E_RNA)
where:
Base-Base interactions energy: -589.666
where: short stacking energy: -256.660
Base-Backbone interact. energy: -0.632
local terms energy: -264.418889
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -45.304
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -74.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -833.652449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.652449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.652449 (E_RNA)
where:
Base-Base interactions energy: -559.749
where: short stacking energy: -243.479
Base-Backbone interact. energy: -0.606
local terms energy: -273.297739
where:
bonds (distance) C4'-P energy: -53.457
bonds (distance) P-C4' energy: -47.784
flat angles C4'-P-C4' energy: -62.477
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -72.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -809.553785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.553785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.553785 (E_RNA)
where:
Base-Base interactions energy: -545.473
where: short stacking energy: -245.318
Base-Backbone interact. energy: -0.709
local terms energy: -263.372354
where:
bonds (distance) C4'-P energy: -43.250
bonds (distance) P-C4' energy: -49.359
flat angles C4'-P-C4' energy: -56.260
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -75.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -754.255412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.255412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.255412 (E_RNA)
where:
Base-Base interactions energy: -512.617
where: short stacking energy: -207.080
Base-Backbone interact. energy: -0.998
local terms energy: -240.640199
where:
bonds (distance) C4'-P energy: -42.558
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -38.863
tors. eta vs tors. theta energy: -58.914
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: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -684.021581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.021581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.021581 (E_RNA)
where:
Base-Base interactions energy: -475.478
where: short stacking energy: -186.156
Base-Backbone interact. energy: -2.961
local terms energy: -205.582435
where:
bonds (distance) C4'-P energy: -35.364
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -54.254
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: -43.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -577.941389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.941389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.941389 (E_RNA)
where:
Base-Base interactions energy: -357.078
where: short stacking energy: -163.681
Base-Backbone interact. energy: 0.608
local terms energy: -221.472090
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -36.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -247.197113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.197113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.197113 (E_RNA)
where:
Base-Base interactions energy: -73.883
where: short stacking energy: -62.981
Base-Backbone interact. energy: 2.333
local terms energy: -175.646837
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -45.711
flat angles C4'-P-C4' energy: -42.591
flat angles P-C4'-P energy: -31.281
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: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -952.272908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.272908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.272908 (E_RNA)
where:
Base-Base interactions energy: -652.409
where: short stacking energy: -290.201
Base-Backbone interact. energy: -0.952
local terms energy: -298.912010
where:
bonds (distance) C4'-P energy: -44.595
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -41.826
tors. eta vs tors. theta energy: -92.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -936.856678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.856678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.856678 (E_RNA)
where:
Base-Base interactions energy: -648.354
where: short stacking energy: -274.079
Base-Backbone interact. energy: -1.534
local terms energy: -286.969499
where:
bonds (distance) C4'-P energy: -46.878
bonds (distance) P-C4' energy: -49.014
flat angles C4'-P-C4' energy: -61.192
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -86.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -864.412124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.412124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.412124 (E_RNA)
where:
Base-Base interactions energy: -587.766
where: short stacking energy: -260.136
Base-Backbone interact. energy: -0.587
local terms energy: -276.058743
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -57.690
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -79.344
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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -855.813707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.813707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.813707 (E_RNA)
where:
Base-Base interactions energy: -601.304
where: short stacking energy: -268.941
Base-Backbone interact. energy: -0.563
local terms energy: -253.947031
where:
bonds (distance) C4'-P energy: -47.623
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -55.419
flat angles P-C4'-P energy: -37.229
tors. eta vs tors. theta energy: -71.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -836.215967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.215967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.215967 (E_RNA)
where:
Base-Base interactions energy: -574.898
where: short stacking energy: -251.731
Base-Backbone interact. energy: 0.221
local terms energy: -261.539341
where:
bonds (distance) C4'-P energy: -42.507
bonds (distance) P-C4' energy: -55.278
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -39.631
tors. eta vs tors. theta energy: -71.124
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: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -789.701613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.701613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.701613 (E_RNA)
where:
Base-Base interactions energy: -545.476
where: short stacking energy: -215.740
Base-Backbone interact. energy: -1.997
local terms energy: -242.228590
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -50.285
flat angles P-C4'-P energy: -41.062
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: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -742.117884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.117884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.117884 (E_RNA)
where:
Base-Base interactions energy: -508.536
where: short stacking energy: -214.049
Base-Backbone interact. energy: 0.429
local terms energy: -234.010668
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -49.080
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -60.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -701.742202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.742202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.742202 (E_RNA)
where:
Base-Base interactions energy: -497.336
where: short stacking energy: -212.108
Base-Backbone interact. energy: 3.294
local terms energy: -207.700270
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -44.184
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -51.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -580.078025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.078025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.078025 (E_RNA)
where:
Base-Base interactions energy: -375.440
where: short stacking energy: -169.158
Base-Backbone interact. energy: -0.401
local terms energy: -204.237414
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -43.193
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -40.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -226.963153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.963153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.963153 (E_RNA)
where:
Base-Base interactions energy: -97.937
where: short stacking energy: -72.815
Base-Backbone interact. energy: 3.298
local terms energy: -132.324212
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: 8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -969.497690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.497690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.497690 (E_RNA)
where:
Base-Base interactions energy: -663.996
where: short stacking energy: -286.252
Base-Backbone interact. energy: -0.285
local terms energy: -305.216759
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -62.094
flat angles P-C4'-P energy: -50.198
tors. eta vs tors. theta energy: -87.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -961.078312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.078312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.078312 (E_RNA)
where:
Base-Base interactions energy: -662.863
where: short stacking energy: -288.332
Base-Backbone interact. energy: -1.051
local terms energy: -297.164650
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -56.589
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -87.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -877.269826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.269826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.269826 (E_RNA)
where:
Base-Base interactions energy: -599.945
where: short stacking energy: -272.604
Base-Backbone interact. energy: -0.814
local terms energy: -276.510904
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -61.455
flat angles P-C4'-P energy: -41.116
tors. eta vs tors. theta energy: -85.098
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: 310
Temperature: 1.050000
Total energy: -842.382126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.382126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.382126 (E_RNA)
where:
Base-Base interactions energy: -575.074
where: short stacking energy: -240.166
Base-Backbone interact. energy: 0.596
local terms energy: -267.905026
where:
bonds (distance) C4'-P energy: -52.323
bonds (distance) P-C4' energy: -52.059
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -38.336
tors. eta vs tors. theta energy: -70.884
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: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -840.791554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.791554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.791554 (E_RNA)
where:
Base-Base interactions energy: -573.227
where: short stacking energy: -264.432
Base-Backbone interact. energy: 0.148
local terms energy: -267.711984
where:
bonds (distance) C4'-P energy: -43.993
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -58.516
flat angles P-C4'-P energy: -37.214
tors. eta vs tors. theta energy: -70.996
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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -805.847929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.847929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.847929 (E_RNA)
where:
Base-Base interactions energy: -565.712
where: short stacking energy: -231.668
Base-Backbone interact. energy: -0.745
local terms energy: -239.390672
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -40.223
flat angles C4'-P-C4' energy: -50.663
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -63.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -762.271296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.271296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.271296 (E_RNA)
where:
Base-Base interactions energy: -512.282
where: short stacking energy: -208.143
Base-Backbone interact. energy: -0.349
local terms energy: -249.639963
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -43.999
flat angles C4'-P-C4' energy: -49.879
flat angles P-C4'-P energy: -34.847
tors. eta vs tors. theta energy: -63.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -731.898246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.898246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.898246 (E_RNA)
where:
Base-Base interactions energy: -511.457
where: short stacking energy: -201.506
Base-Backbone interact. energy: -0.555
local terms energy: -219.886627
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -60.991
flat angles C4'-P-C4' energy: -35.206
flat angles P-C4'-P energy: -32.660
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -553.903338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.903338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.903338 (E_RNA)
where:
Base-Base interactions energy: -361.958
where: short stacking energy: -151.656
Base-Backbone interact. energy: -0.437
local terms energy: -191.508621
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -55.445
flat angles C4'-P-C4' energy: -43.709
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -33.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -231.296943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.296943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.296943 (E_RNA)
where:
Base-Base interactions energy: -73.092
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.897
local terms energy: -157.307742
where:
bonds (distance) C4'-P energy: -50.439
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -44.100
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: 7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -982.048233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.048233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.048233 (E_RNA)
where:
Base-Base interactions energy: -678.217
where: short stacking energy: -288.773
Base-Backbone interact. energy: 0.813
local terms energy: -304.644528
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -56.573
flat angles C4'-P-C4' energy: -66.330
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -89.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -952.152745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.152745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.152745 (E_RNA)
where:
Base-Base interactions energy: -664.609
where: short stacking energy: -301.865
Base-Backbone interact. energy: -0.773
local terms energy: -286.770218
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -60.921
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -89.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -880.743393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.743393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.743393 (E_RNA)
where:
Base-Base interactions energy: -595.926
where: short stacking energy: -256.440
Base-Backbone interact. energy: -0.417
local terms energy: -284.400275
where:
bonds (distance) C4'-P energy: -54.218
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -62.883
flat angles P-C4'-P energy: -41.399
tors. eta vs tors. theta energy: -80.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -853.705872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.705872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.705872 (E_RNA)
where:
Base-Base interactions energy: -580.134
where: short stacking energy: -271.734
Base-Backbone interact. energy: -0.838
local terms energy: -272.733782
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -53.504
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -77.974
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: 311
Temperature: 1.100000
Total energy: -823.695408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.695408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.695408 (E_RNA)
where:
Base-Base interactions energy: -540.090
where: short stacking energy: -234.923
Base-Backbone interact. energy: -0.447
local terms energy: -283.158599
where:
bonds (distance) C4'-P energy: -59.020
bonds (distance) P-C4' energy: -56.606
flat angles C4'-P-C4' energy: -59.561
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -70.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -800.575834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.575834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.575834 (E_RNA)
where:
Base-Base interactions energy: -539.192
where: short stacking energy: -217.587
Base-Backbone interact. energy: -2.106
local terms energy: -259.277308
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -50.946
flat angles P-C4'-P energy: -38.602
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: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -768.173278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.173278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.173278 (E_RNA)
where:
Base-Base interactions energy: -530.720
where: short stacking energy: -236.570
Base-Backbone interact. energy: -0.484
local terms energy: -236.970208
where:
bonds (distance) C4'-P energy: -38.160
bonds (distance) P-C4' energy: -40.862
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: -68.248
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: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -664.275614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.275614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.275614 (E_RNA)
where:
Base-Base interactions energy: -472.821
where: short stacking energy: -183.614
Base-Backbone interact. energy: -0.232
local terms energy: -191.222400
where:
bonds (distance) C4'-P energy: -45.113
bonds (distance) P-C4' energy: -49.249
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -44.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -576.131260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.131260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.131260 (E_RNA)
where:
Base-Base interactions energy: -376.832
where: short stacking energy: -173.064
Base-Backbone interact. energy: -1.484
local terms energy: -197.814903
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -50.665
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -30.585
tors. eta vs tors. theta energy: -38.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -223.211590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.211590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.211590 (E_RNA)
where:
Base-Base interactions energy: -69.061
where: short stacking energy: -65.437
Base-Backbone interact. energy: 1.031
local terms energy: -155.181757
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -48.461
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -959.027204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.027204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.027204 (E_RNA)
where:
Base-Base interactions energy: -654.991
where: short stacking energy: -291.197
Base-Backbone interact. energy: -2.118
local terms energy: -301.917836
where:
bonds (distance) C4'-P energy: -54.055
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -60.807
flat angles P-C4'-P energy: -46.216
tors. eta vs tors. theta energy: -86.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -952.213923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.213923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.213923 (E_RNA)
where:
Base-Base interactions energy: -654.925
where: short stacking energy: -291.327
Base-Backbone interact. energy: -0.667
local terms energy: -296.621484
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -53.227
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -87.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -884.707396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.707396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.707396 (E_RNA)
where:
Base-Base interactions energy: -606.083
where: short stacking energy: -257.374
Base-Backbone interact. energy: -0.430
local terms energy: -278.194797
where:
bonds (distance) C4'-P energy: -48.825
bonds (distance) P-C4' energy: -55.099
flat angles C4'-P-C4' energy: -65.393
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -72.065
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: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -826.654593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.654593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.654593 (E_RNA)
where:
Base-Base interactions energy: -574.294
where: short stacking energy: -245.571
Base-Backbone interact. energy: 0.102
local terms energy: -252.462861
where:
bonds (distance) C4'-P energy: -44.858
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -57.767
flat angles P-C4'-P energy: -38.473
tors. eta vs tors. theta energy: -60.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -791.076804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.076804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.076804 (E_RNA)
where:
Base-Base interactions energy: -536.165
where: short stacking energy: -229.869
Base-Backbone interact. energy: -0.812
local terms energy: -254.099505
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: -57.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -795.854458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.854458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.854458 (E_RNA)
where:
Base-Base interactions energy: -539.669
where: short stacking energy: -236.722
Base-Backbone interact. energy: 0.330
local terms energy: -256.515061
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -49.350
flat angles C4'-P-C4' energy: -59.297
flat angles P-C4'-P energy: -30.758
tors. eta vs tors. theta energy: -70.586
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: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -712.617010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.617010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.617010 (E_RNA)
where:
Base-Base interactions energy: -494.921
where: short stacking energy: -193.072
Base-Backbone interact. energy: -1.572
local terms energy: -216.124536
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -44.568
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -47.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -705.141760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.141760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.141760 (E_RNA)
where:
Base-Base interactions energy: -477.915
where: short stacking energy: -205.129
Base-Backbone interact. energy: -0.803
local terms energy: -226.424053
where:
bonds (distance) C4'-P energy: -44.524
bonds (distance) P-C4' energy: -55.627
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -26.690
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: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -582.132698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.132698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.132698 (E_RNA)
where:
Base-Base interactions energy: -353.352
where: short stacking energy: -169.809
Base-Backbone interact. energy: -0.363
local terms energy: -228.418386
where:
bonds (distance) C4'-P energy: -46.973
bonds (distance) P-C4' energy: -52.799
flat angles C4'-P-C4' energy: -45.791
flat angles P-C4'-P energy: -31.067
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: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -215.923274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.923274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.923274 (E_RNA)
where:
Base-Base interactions energy: -71.921
where: short stacking energy: -70.724
Base-Backbone interact. energy: 0.021
local terms energy: -144.023539
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -39.089
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -16.555
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: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -972.506740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.506740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.506740 (E_RNA)
where:
Base-Base interactions energy: -669.004
where: short stacking energy: -292.018
Base-Backbone interact. energy: -0.590
local terms energy: -302.913173
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -87.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -923.190903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.190903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.190903 (E_RNA)
where:
Base-Base interactions energy: -640.838
where: short stacking energy: -279.865
Base-Backbone interact. energy: -0.400
local terms energy: -281.952617
where:
bonds (distance) C4'-P energy: -47.332
bonds (distance) P-C4' energy: -48.872
flat angles C4'-P-C4' energy: -55.511
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -87.981
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: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -872.627518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.627518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.627518 (E_RNA)
where:
Base-Base interactions energy: -593.777
where: short stacking energy: -254.750
Base-Backbone interact. energy: -1.125
local terms energy: -277.726333
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -48.735
flat angles C4'-P-C4' energy: -58.545
flat angles P-C4'-P energy: -44.340
tors. eta vs tors. theta energy: -80.246
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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -844.575170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.575170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.575170 (E_RNA)
where:
Base-Base interactions energy: -580.831
where: short stacking energy: -249.952
Base-Backbone interact. energy: -2.007
local terms energy: -261.737501
where:
bonds (distance) C4'-P energy: -47.664
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -69.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -794.525158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.525158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.525158 (E_RNA)
where:
Base-Base interactions energy: -544.433
where: short stacking energy: -227.507
Base-Backbone interact. energy: -0.750
local terms energy: -249.342552
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -58.521
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -68.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -752.789554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.789554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.789554 (E_RNA)
where:
Base-Base interactions energy: -502.722
where: short stacking energy: -207.042
Base-Backbone interact. energy: -0.719
local terms energy: -249.348535
where:
bonds (distance) C4'-P energy: -48.496
bonds (distance) P-C4' energy: -53.041
flat angles C4'-P-C4' energy: -51.891
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -58.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -773.848168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.848168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.848168 (E_RNA)
where:
Base-Base interactions energy: -525.410
where: short stacking energy: -214.131
Base-Backbone interact. energy: -1.059
local terms energy: -247.379145
where:
bonds (distance) C4'-P energy: -35.862
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -58.707
flat angles P-C4'-P energy: -36.563
tors. eta vs tors. theta energy: -61.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -654.249406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.249406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.249406 (E_RNA)
where:
Base-Base interactions energy: -430.392
where: short stacking energy: -179.406
Base-Backbone interact. energy: -1.438
local terms energy: -222.419932
where:
bonds (distance) C4'-P energy: -51.109
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -47.683
flat angles P-C4'-P energy: -35.661
tors. eta vs tors. theta energy: -41.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -575.388597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.388597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.388597 (E_RNA)
where:
Base-Base interactions energy: -363.364
where: short stacking energy: -167.686
Base-Backbone interact. energy: -0.833
local terms energy: -211.192088
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -50.840
flat angles C4'-P-C4' energy: -49.271
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -44.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -229.344896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.344896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344896 (E_RNA)
where:
Base-Base interactions energy: -89.339
where: short stacking energy: -72.284
Base-Backbone interact. energy: 0.573
local terms energy: -140.578196
where:
bonds (distance) C4'-P energy: -51.974
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -0.957
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: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -960.640739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.640739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.640739 (E_RNA)
where:
Base-Base interactions energy: -671.976
where: short stacking energy: -280.515
Base-Backbone interact. energy: -0.918
local terms energy: -287.747733
where:
bonds (distance) C4'-P energy: -47.189
bonds (distance) P-C4' energy: -51.391
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -44.283
tors. eta vs tors. theta energy: -86.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -938.433491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.433491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.433491 (E_RNA)
where:
Base-Base interactions energy: -645.474
where: short stacking energy: -280.718
Base-Backbone interact. energy: -1.845
local terms energy: -291.114433
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -42.935
flat angles C4'-P-C4' energy: -62.500
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -86.910
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: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -874.592835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.592835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.592835 (E_RNA)
where:
Base-Base interactions energy: -591.420
where: short stacking energy: -262.510
Base-Backbone interact. energy: 0.211
local terms energy: -283.383887
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -48.226
flat angles C4'-P-C4' energy: -62.802
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -79.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -855.032086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.032086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.032086 (E_RNA)
where:
Base-Base interactions energy: -580.508
where: short stacking energy: -261.589
Base-Backbone interact. energy: 1.550
local terms energy: -276.074011
where:
bonds (distance) C4'-P energy: -52.512
bonds (distance) P-C4' energy: -50.797
flat angles C4'-P-C4' energy: -63.466
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -68.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -831.602693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.602693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.602693 (E_RNA)
where:
Base-Base interactions energy: -589.684
where: short stacking energy: -241.752
Base-Backbone interact. energy: -0.158
local terms energy: -241.760460
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -51.718
flat angles P-C4'-P energy: -29.050
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: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -770.996123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.996123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.996123 (E_RNA)
where:
Base-Base interactions energy: -542.638
where: short stacking energy: -244.286
Base-Backbone interact. energy: 5.415
local terms energy: -233.773181
where:
bonds (distance) C4'-P energy: -44.427
bonds (distance) P-C4' energy: -37.218
flat angles C4'-P-C4' energy: -53.651
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -64.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -766.126603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.126603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.126603 (E_RNA)
where:
Base-Base interactions energy: -534.174
where: short stacking energy: -217.189
Base-Backbone interact. energy: -1.703
local terms energy: -230.250355
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -35.104
flat angles C4'-P-C4' energy: -44.507
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -64.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -651.396505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.396505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.396505 (E_RNA)
where:
Base-Base interactions energy: -444.049
where: short stacking energy: -178.623
Base-Backbone interact. energy: -0.655
local terms energy: -206.692778
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -40.857
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -36.222
tors. eta vs tors. theta energy: -44.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -571.494591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.494591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.494591 (E_RNA)
where:
Base-Base interactions energy: -375.698
where: short stacking energy: -177.266
Base-Backbone interact. energy: -0.977
local terms energy: -194.819462
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -41.084
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -31.292
tors. eta vs tors. theta energy: -40.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -247.724507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.724507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.724507 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -84.754
Base-Backbone interact. energy: -1.895
local terms energy: -138.370169
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -42.722
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -0.876
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: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -971.859285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.859285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.859285 (E_RNA)
where:
Base-Base interactions energy: -664.749
where: short stacking energy: -290.490
Base-Backbone interact. energy: -0.491
local terms energy: -306.619412
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -63.549
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -92.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -923.788636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.788636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.788636 (E_RNA)
where:
Base-Base interactions energy: -628.468
where: short stacking energy: -263.936
Base-Backbone interact. energy: -2.195
local terms energy: -293.126173
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -61.944
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -82.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -854.645674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.645674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.645674 (E_RNA)
where:
Base-Base interactions energy: -575.368
where: short stacking energy: -249.192
Base-Backbone interact. energy: -0.379
local terms energy: -278.898033
where:
bonds (distance) C4'-P energy: -51.568
bonds (distance) P-C4' energy: -51.436
flat angles C4'-P-C4' energy: -63.055
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -75.253
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: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -832.929047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.929047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.929047 (E_RNA)
where:
Base-Base interactions energy: -568.933
where: short stacking energy: -243.286
Base-Backbone interact. energy: -0.255
local terms energy: -263.741059
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -50.104
flat angles C4'-P-C4' energy: -57.643
flat angles P-C4'-P energy: -37.000
tors. eta vs tors. theta energy: -71.966
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: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -823.054926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.054926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.054926 (E_RNA)
where:
Base-Base interactions energy: -569.852
where: short stacking energy: -248.031
Base-Backbone interact. energy: 0.291
local terms energy: -253.493999
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -36.951
tors. eta vs tors. theta energy: -72.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -791.608486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.608486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.608486 (E_RNA)
where:
Base-Base interactions energy: -543.906
where: short stacking energy: -232.150
Base-Backbone interact. energy: 0.937
local terms energy: -248.639804
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -41.108
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -61.463
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: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -741.352982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.352982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.352982 (E_RNA)
where:
Base-Base interactions energy: -504.390
where: short stacking energy: -213.209
Base-Backbone interact. energy: -0.924
local terms energy: -236.038967
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -48.997
flat angles P-C4'-P energy: -31.638
tors. eta vs tors. theta energy: -57.353
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: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -652.997479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.997479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.997479 (E_RNA)
where:
Base-Base interactions energy: -444.290
where: short stacking energy: -198.195
Base-Backbone interact. energy: -1.131
local terms energy: -207.576023
where:
bonds (distance) C4'-P energy: -49.689
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -41.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -580.385450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.385450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.385450 (E_RNA)
where:
Base-Base interactions energy: -378.830
where: short stacking energy: -190.566
Base-Backbone interact. energy: 0.791
local terms energy: -202.346239
where:
bonds (distance) C4'-P energy: -39.650
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -228.408914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.408914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.408914 (E_RNA)
where:
Base-Base interactions energy: -87.728
where: short stacking energy: -69.448
Base-Backbone interact. energy: -0.625
local terms energy: -140.055782
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -33.561
flat angles C4'-P-C4' energy: -37.957
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -971.603207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.603207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.603207 (E_RNA)
where:
Base-Base interactions energy: -674.055
where: short stacking energy: -285.576
Base-Backbone interact. energy: -0.584
local terms energy: -296.964822
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -61.516
flat angles P-C4'-P energy: -41.176
tors. eta vs tors. theta energy: -88.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -928.164351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.164351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.164351 (E_RNA)
where:
Base-Base interactions energy: -652.494
where: short stacking energy: -265.156
Base-Backbone interact. energy: -0.423
local terms energy: -275.246676
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -57.366
flat angles P-C4'-P energy: -36.367
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: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -871.847248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.847248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.847248 (E_RNA)
where:
Base-Base interactions energy: -611.470
where: short stacking energy: -248.474
Base-Backbone interact. energy: -1.064
local terms energy: -259.312939
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -72.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -836.130331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.130331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.130331 (E_RNA)
where:
Base-Base interactions energy: -567.546
where: short stacking energy: -251.808
Base-Backbone interact. energy: -0.370
local terms energy: -268.214601
where:
bonds (distance) C4'-P energy: -55.807
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -73.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -819.488609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.488609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.488609 (E_RNA)
where:
Base-Base interactions energy: -573.033
where: short stacking energy: -240.692
Base-Backbone interact. energy: -0.326
local terms energy: -246.129456
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -44.175
tors. eta vs tors. theta energy: -59.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -801.222626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.222626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.222626 (E_RNA)
where:
Base-Base interactions energy: -535.301
where: short stacking energy: -228.173
Base-Backbone interact. energy: -1.269
local terms energy: -264.652163
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -54.610
flat angles P-C4'-P energy: -38.422
tors. eta vs tors. theta energy: -63.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -746.170364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.170364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.170364 (E_RNA)
where:
Base-Base interactions energy: -516.714
where: short stacking energy: -206.756
Base-Backbone interact. energy: -1.251
local terms energy: -228.205675
where:
bonds (distance) C4'-P energy: -45.057
bonds (distance) P-C4' energy: -52.027
flat angles C4'-P-C4' energy: -46.332
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -50.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -673.523660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.523660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.523660 (E_RNA)
where:
Base-Base interactions energy: -474.564
where: short stacking energy: -183.784
Base-Backbone interact. energy: -2.160
local terms energy: -196.799335
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -39.026
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -45.693
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -555.282728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.282728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.282728 (E_RNA)
where:
Base-Base interactions energy: -344.124
where: short stacking energy: -138.009
Base-Backbone interact. energy: -0.434
local terms energy: -210.724595
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -51.834
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -33.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -221.219894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.219894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.219894 (E_RNA)
where:
Base-Base interactions energy: -70.682
where: short stacking energy: -70.476
Base-Backbone interact. energy: 0.850
local terms energy: -151.388511
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -51.884
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: 4.673
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: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -951.538216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.538216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.538216 (E_RNA)
where:
Base-Base interactions energy: -652.314
where: short stacking energy: -279.223
Base-Backbone interact. energy: -0.658
local terms energy: -298.566026
where:
bonds (distance) C4'-P energy: -55.750
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -41.759
tors. eta vs tors. theta energy: -87.063
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: 317
Temperature: 0.950000
Total energy: -947.744817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.744817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.744817 (E_RNA)
where:
Base-Base interactions energy: -659.295
where: short stacking energy: -299.100
Base-Backbone interact. energy: 0.075
local terms energy: -288.525177
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -56.654
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -86.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -877.318378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.318378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.318378 (E_RNA)
where:
Base-Base interactions energy: -592.845
where: short stacking energy: -246.482
Base-Backbone interact. energy: -0.322
local terms energy: -284.151302
where:
bonds (distance) C4'-P energy: -57.663
bonds (distance) P-C4' energy: -51.623
flat angles C4'-P-C4' energy: -61.044
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -78.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -828.694494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.694494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.694494 (E_RNA)
where:
Base-Base interactions energy: -555.299
where: short stacking energy: -236.042
Base-Backbone interact. energy: -0.302
local terms energy: -273.093673
where:
bonds (distance) C4'-P energy: -54.332
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -53.822
flat angles P-C4'-P energy: -37.071
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: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -804.674440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.674440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.674440 (E_RNA)
where:
Base-Base interactions energy: -542.434
where: short stacking energy: -243.763
Base-Backbone interact. energy: -0.814
local terms energy: -261.426486
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -53.541
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -69.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -799.087557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.087557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.087557 (E_RNA)
where:
Base-Base interactions energy: -555.958
where: short stacking energy: -241.489
Base-Backbone interact. energy: -0.666
local terms energy: -242.463563
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -59.976
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -67.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -718.794801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.794801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.794801 (E_RNA)
where:
Base-Base interactions energy: -496.656
where: short stacking energy: -209.336
Base-Backbone interact. energy: -0.290
local terms energy: -221.848751
where:
bonds (distance) C4'-P energy: -49.384
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -47.514
flat angles P-C4'-P energy: -20.159
tors. eta vs tors. theta energy: -62.910
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: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -605.313475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.313475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.313475 (E_RNA)
where:
Base-Base interactions energy: -385.414
where: short stacking energy: -170.615
Base-Backbone interact. energy: -0.665
local terms energy: -219.234375
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -55.641
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -623.154878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.154878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.154878 (E_RNA)
where:
Base-Base interactions energy: -413.082
where: short stacking energy: -178.865
Base-Backbone interact. energy: -0.652
local terms energy: -209.420278
where:
bonds (distance) C4'-P energy: -44.828
bonds (distance) P-C4' energy: -45.336
flat angles C4'-P-C4' energy: -44.273
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -47.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -216.090545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.090545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.090545 (E_RNA)
where:
Base-Base interactions energy: -92.647
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.171
local terms energy: -123.272055
where:
bonds (distance) C4'-P energy: -41.062
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: 8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -964.196879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.196879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.196879 (E_RNA)
where:
Base-Base interactions energy: -664.127
where: short stacking energy: -302.961
Base-Backbone interact. energy: 0.171
local terms energy: -300.240392
where:
bonds (distance) C4'-P energy: -52.834
bonds (distance) P-C4' energy: -52.414
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -40.606
tors. eta vs tors. theta energy: -92.089
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: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -946.503253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.503253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.503253 (E_RNA)
where:
Base-Base interactions energy: -658.206
where: short stacking energy: -273.207
Base-Backbone interact. energy: -0.879
local terms energy: -287.418205
where:
bonds (distance) C4'-P energy: -50.639
bonds (distance) P-C4' energy: -55.185
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -83.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -854.635835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.635835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.635835 (E_RNA)
where:
Base-Base interactions energy: -591.856
where: short stacking energy: -243.563
Base-Backbone interact. energy: -0.826
local terms energy: -261.953230
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -68.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -845.305230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.305230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.305230 (E_RNA)
where:
Base-Base interactions energy: -564.963
where: short stacking energy: -241.664
Base-Backbone interact. energy: -0.991
local terms energy: -279.351651
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -58.244
flat angles C4'-P-C4' energy: -56.548
flat angles P-C4'-P energy: -42.140
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: 318
Temperature: 1.100000
Total energy: -814.920611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.920611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.920611 (E_RNA)
where:
Base-Base interactions energy: -563.002
where: short stacking energy: -241.099
Base-Backbone interact. energy: -0.279
local terms energy: -251.640158
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -63.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -792.188233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.188233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.188233 (E_RNA)
where:
Base-Base interactions energy: -555.701
where: short stacking energy: -226.879
Base-Backbone interact. energy: 0.643
local terms energy: -237.130689
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -49.993
flat angles P-C4'-P energy: -35.602
tors. eta vs tors. theta energy: -62.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -734.755078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.755078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.755078 (E_RNA)
where:
Base-Base interactions energy: -493.087
where: short stacking energy: -223.083
Base-Backbone interact. energy: 2.207
local terms energy: -243.874501
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -49.171
flat angles P-C4'-P energy: -32.964
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -617.506008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.506008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.506008 (E_RNA)
where:
Base-Base interactions energy: -400.400
where: short stacking energy: -176.164
Base-Backbone interact. energy: 0.427
local terms energy: -217.532829
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -53.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -595.263376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.263376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.263376 (E_RNA)
where:
Base-Base interactions energy: -391.169
where: short stacking energy: -183.440
Base-Backbone interact. energy: -1.183
local terms energy: -202.910964
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -46.257
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -228.534936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.534936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.534936 (E_RNA)
where:
Base-Base interactions energy: -62.002
where: short stacking energy: -59.783
Base-Backbone interact. energy: 0.788
local terms energy: -167.320745
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -47.322
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: 1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -965.273103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.273103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.273103 (E_RNA)
where:
Base-Base interactions energy: -669.992
where: short stacking energy: -294.830
Base-Backbone interact. energy: -0.429
local terms energy: -294.852266
where:
bonds (distance) C4'-P energy: -56.565
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -41.831
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: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -953.689426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.689426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.689426 (E_RNA)
where:
Base-Base interactions energy: -654.086
where: short stacking energy: -290.149
Base-Backbone interact. energy: -1.448
local terms energy: -298.155419
where:
bonds (distance) C4'-P energy: -47.415
bonds (distance) P-C4' energy: -56.107
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -36.846
tors. eta vs tors. theta energy: -90.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -891.591605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.591605 (E_RNA)
where:
Base-Base interactions energy: -611.909
where: short stacking energy: -272.652
Base-Backbone interact. energy: -0.692
local terms energy: -278.990371
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -60.115
flat angles P-C4'-P energy: -36.214
tors. eta vs tors. theta energy: -77.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -828.128437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.128437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.128437 (E_RNA)
where:
Base-Base interactions energy: -545.913
where: short stacking energy: -243.438
Base-Backbone interact. energy: -0.356
local terms energy: -281.859131
where:
bonds (distance) C4'-P energy: -43.311
bonds (distance) P-C4' energy: -58.468
flat angles C4'-P-C4' energy: -61.514
flat angles P-C4'-P energy: -37.443
tors. eta vs tors. theta energy: -81.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -774.537906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.537906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.537906 (E_RNA)
where:
Base-Base interactions energy: -525.608
where: short stacking energy: -232.907
Base-Backbone interact. energy: -0.732
local terms energy: -248.197732
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -53.152
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -812.965465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.965465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.965465 (E_RNA)
where:
Base-Base interactions energy: -546.498
where: short stacking energy: -236.360
Base-Backbone interact. energy: -0.670
local terms energy: -265.796733
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -55.246
flat angles C4'-P-C4' energy: -59.558
flat angles P-C4'-P energy: -37.648
tors. eta vs tors. theta energy: -64.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -735.786815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.786815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.786815 (E_RNA)
where:
Base-Base interactions energy: -497.063
where: short stacking energy: -220.458
Base-Backbone interact. energy: -0.693
local terms energy: -238.031113
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -53.237
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -57.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -619.391842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.391842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.391842 (E_RNA)
where:
Base-Base interactions energy: -404.906
where: short stacking energy: -176.723
Base-Backbone interact. energy: -1.665
local terms energy: -212.821060
where:
bonds (distance) C4'-P energy: -41.510
bonds (distance) P-C4' energy: -52.031
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -35.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -558.745137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.745137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.745137 (E_RNA)
where:
Base-Base interactions energy: -358.042
where: short stacking energy: -180.570
Base-Backbone interact. energy: 0.325
local terms energy: -201.027263
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -46.160
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -38.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -229.941704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.941704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.941704 (E_RNA)
where:
Base-Base interactions energy: -90.941
where: short stacking energy: -78.774
Base-Backbone interact. energy: 10.719
local terms energy: -149.719777
where:
bonds (distance) C4'-P energy: -40.221
bonds (distance) P-C4' energy: -50.752
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -962.605216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.605216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.605216 (E_RNA)
where:
Base-Base interactions energy: -655.293
where: short stacking energy: -296.248
Base-Backbone interact. energy: -0.997
local terms energy: -306.315474
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -59.048
flat angles P-C4'-P energy: -41.840
tors. eta vs tors. theta energy: -92.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -950.321906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.321906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.321906 (E_RNA)
where:
Base-Base interactions energy: -664.042
where: short stacking energy: -290.831
Base-Backbone interact. energy: 1.897
local terms energy: -288.176395
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -62.701
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -93.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -873.981891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.981891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.981891 (E_RNA)
where:
Base-Base interactions energy: -615.451
where: short stacking energy: -262.327
Base-Backbone interact. energy: -0.839
local terms energy: -257.691307
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -50.073
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -72.626
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: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -847.980209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.980209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.980209 (E_RNA)
where:
Base-Base interactions energy: -588.962
where: short stacking energy: -260.916
Base-Backbone interact. energy: 1.300
local terms energy: -260.317608
where:
bonds (distance) C4'-P energy: -56.076
bonds (distance) P-C4' energy: -45.138
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: -75.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -786.255493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.255493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.255493 (E_RNA)
where:
Base-Base interactions energy: -524.658
where: short stacking energy: -222.743
Base-Backbone interact. energy: -0.755
local terms energy: -260.841883
where:
bonds (distance) C4'-P energy: -44.982
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -73.224
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: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -803.199814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.199814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.199814 (E_RNA)
where:
Base-Base interactions energy: -559.837
where: short stacking energy: -230.436
Base-Backbone interact. energy: -0.608
local terms energy: -242.754514
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -47.609
flat angles C4'-P-C4' energy: -46.633
flat angles P-C4'-P energy: -41.921
tors. eta vs tors. theta energy: -66.223
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: 320
Temperature: 1.200000
Total energy: -732.443936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.443936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.443936 (E_RNA)
where:
Base-Base interactions energy: -503.596
where: short stacking energy: -199.168
Base-Backbone interact. energy: -0.661
local terms energy: -228.186666
where:
bonds (distance) C4'-P energy: -44.133
bonds (distance) P-C4' energy: -38.390
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -55.899
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: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -628.503608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.503608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.503608 (E_RNA)
where:
Base-Base interactions energy: -412.673
where: short stacking energy: -166.183
Base-Backbone interact. energy: -2.394
local terms energy: -213.436760
where:
bonds (distance) C4'-P energy: -50.777
bonds (distance) P-C4' energy: -48.330
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -28.812
tors. eta vs tors. theta energy: -31.538
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: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -508.015154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.015154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.015154 (E_RNA)
where:
Base-Base interactions energy: -309.485
where: short stacking energy: -152.764
Base-Backbone interact. energy: -0.601
local terms energy: -197.929275
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -47.127
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -233.980896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.980896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.980896 (E_RNA)
where:
Base-Base interactions energy: -82.252
where: short stacking energy: -58.424
Base-Backbone interact. energy: -1.767
local terms energy: -149.961999
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -47.918
flat angles C4'-P-C4' energy: -43.567
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: 8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -949.792377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.792377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.792377 (E_RNA)
where:
Base-Base interactions energy: -642.887
where: short stacking energy: -278.909
Base-Backbone interact. energy: -1.293
local terms energy: -305.612518
where:
bonds (distance) C4'-P energy: -61.686
bonds (distance) P-C4' energy: -59.154
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -37.312
tors. eta vs tors. theta energy: -86.938
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: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -960.106715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.106715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.106715 (E_RNA)
where:
Base-Base interactions energy: -651.425
where: short stacking energy: -287.791
Base-Backbone interact. energy: -1.187
local terms energy: -307.494779
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -65.779
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -90.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -898.272041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.272041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.272041 (E_RNA)
where:
Base-Base interactions energy: -613.718
where: short stacking energy: -274.443
Base-Backbone interact. energy: -0.850
local terms energy: -283.704194
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -57.982
flat angles C4'-P-C4' energy: -57.767
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -80.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -851.969706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.969706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.969706 (E_RNA)
where:
Base-Base interactions energy: -589.459
where: short stacking energy: -239.618
Base-Backbone interact. energy: -1.351
local terms energy: -261.160208
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -32.619
tors. eta vs tors. theta energy: -68.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -789.830001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.830001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.830001 (E_RNA)
where:
Base-Base interactions energy: -556.225
where: short stacking energy: -234.760
Base-Backbone interact. energy: -2.253
local terms energy: -231.352037
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -43.329
flat angles C4'-P-C4' energy: -57.693
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -60.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -793.566697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.566697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.566697 (E_RNA)
where:
Base-Base interactions energy: -551.237
where: short stacking energy: -249.138
Base-Backbone interact. energy: 2.226
local terms energy: -244.555817
where:
bonds (distance) C4'-P energy: -44.302
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -52.733
flat angles P-C4'-P energy: -33.731
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: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -751.410992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.410992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.410992 (E_RNA)
where:
Base-Base interactions energy: -504.705
where: short stacking energy: -213.502
Base-Backbone interact. energy: -0.191
local terms energy: -246.514508
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -53.994
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: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -606.283294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.283294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.283294 (E_RNA)
where:
Base-Base interactions energy: -384.596
where: short stacking energy: -167.297
Base-Backbone interact. energy: 0.952
local terms energy: -222.638936
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -49.735
flat angles C4'-P-C4' energy: -48.469
flat angles P-C4'-P energy: -36.652
tors. eta vs tors. theta energy: -36.070
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: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -505.242210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.242210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.242210 (E_RNA)
where:
Base-Base interactions energy: -310.380
where: short stacking energy: -150.806
Base-Backbone interact. energy: -0.947
local terms energy: -193.914462
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -34.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -231.713196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.713196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.713196 (E_RNA)
where:
Base-Base interactions energy: -86.854
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.032
local terms energy: -144.827072
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -5.084
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: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -974.768319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.768319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.768319 (E_RNA)
where:
Base-Base interactions energy: -680.731
where: short stacking energy: -290.138
Base-Backbone interact. energy: -0.668
local terms energy: -293.369855
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -54.636
flat angles C4'-P-C4' energy: -59.869
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -94.130
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -916.150076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.150076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.150076 (E_RNA)
where:
Base-Base interactions energy: -634.778
where: short stacking energy: -276.954
Base-Backbone interact. energy: 0.104
local terms energy: -281.475660
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -62.676
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -81.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -881.731105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.731105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.731105 (E_RNA)
where:
Base-Base interactions energy: -601.837
where: short stacking energy: -260.994
Base-Backbone interact. energy: 0.149
local terms energy: -280.042855
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -53.678
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -78.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -835.165454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.165454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.165454 (E_RNA)
where:
Base-Base interactions energy: -568.186
where: short stacking energy: -251.299
Base-Backbone interact. energy: -0.875
local terms energy: -266.104326
where:
bonds (distance) C4'-P energy: -49.961
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -58.750
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -72.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -803.162947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.162947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.162947 (E_RNA)
where:
Base-Base interactions energy: -557.939
where: short stacking energy: -227.474
Base-Backbone interact. energy: -2.068
local terms energy: -243.155805
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: -66.949
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: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -800.273170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.273170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.273170 (E_RNA)
where:
Base-Base interactions energy: -559.726
where: short stacking energy: -241.776
Base-Backbone interact. energy: 0.790
local terms energy: -241.336874
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -49.661
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -61.383
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: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -750.650011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.650011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.650011 (E_RNA)
where:
Base-Base interactions energy: -509.948
where: short stacking energy: -209.581
Base-Backbone interact. energy: -1.065
local terms energy: -239.636877
where:
bonds (distance) C4'-P energy: -55.446
bonds (distance) P-C4' energy: -43.746
flat angles C4'-P-C4' energy: -50.861
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -59.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -637.817709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.817709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.817709 (E_RNA)
where:
Base-Base interactions energy: -409.374
where: short stacking energy: -175.026
Base-Backbone interact. energy: -1.805
local terms energy: -226.638359
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -56.255
flat angles P-C4'-P energy: -31.151
tors. eta vs tors. theta energy: -50.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -493.338865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.338865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.338865 (E_RNA)
where:
Base-Base interactions energy: -295.378
where: short stacking energy: -139.574
Base-Backbone interact. energy: 0.029
local terms energy: -197.990319
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -208.042636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.042636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.042636 (E_RNA)
where:
Base-Base interactions energy: -64.974
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.841
local terms energy: -142.228141
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -963.738027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.738027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.738027 (E_RNA)
where:
Base-Base interactions energy: -666.676
where: short stacking energy: -283.317
Base-Backbone interact. energy: 1.963
local terms energy: -299.025180
where:
bonds (distance) C4'-P energy: -56.925
bonds (distance) P-C4' energy: -51.628
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -42.282
tors. eta vs tors. theta energy: -85.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -887.252305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.252305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.252305 (E_RNA)
where:
Base-Base interactions energy: -603.077
where: short stacking energy: -258.374
Base-Backbone interact. energy: -0.791
local terms energy: -283.384620
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -53.969
flat angles C4'-P-C4' energy: -60.782
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -81.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -909.841080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.841080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.841080 (E_RNA)
where:
Base-Base interactions energy: -617.241
where: short stacking energy: -266.570
Base-Backbone interact. energy: -0.049
local terms energy: -292.550184
where:
bonds (distance) C4'-P energy: -48.496
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -41.896
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: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -852.728212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.728212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.728212 (E_RNA)
where:
Base-Base interactions energy: -576.399
where: short stacking energy: -261.041
Base-Backbone interact. energy: 0.634
local terms energy: -276.963648
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -54.987
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -77.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -812.978384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.978384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.978384 (E_RNA)
where:
Base-Base interactions energy: -544.879
where: short stacking energy: -243.678
Base-Backbone interact. energy: 0.232
local terms energy: -268.331039
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -50.679
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -77.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -800.191979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.191979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.191979 (E_RNA)
where:
Base-Base interactions energy: -538.721
where: short stacking energy: -225.292
Base-Backbone interact. energy: -0.897
local terms energy: -260.574680
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -57.572
flat angles P-C4'-P energy: -40.195
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: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -754.577499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.577499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.577499 (E_RNA)
where:
Base-Base interactions energy: -518.886
where: short stacking energy: -218.621
Base-Backbone interact. energy: -0.929
local terms energy: -234.763254
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -48.899
flat angles C4'-P-C4' energy: -48.434
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -60.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -505.003552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.003552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.003552 (E_RNA)
where:
Base-Base interactions energy: -300.143
where: short stacking energy: -128.627
Base-Backbone interact. energy: 0.508
local terms energy: -205.368098
where:
bonds (distance) C4'-P energy: -43.386
bonds (distance) P-C4' energy: -54.613
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -29.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -582.001500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.001500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.001500 (E_RNA)
where:
Base-Base interactions energy: -382.391
where: short stacking energy: -157.595
Base-Backbone interact. energy: -0.122
local terms energy: -199.488952
where:
bonds (distance) C4'-P energy: -34.522
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -44.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -220.099579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.099579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.099579 (E_RNA)
where:
Base-Base interactions energy: -85.000
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.081
local terms energy: -135.018333
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -42.995
flat angles C4'-P-C4' energy: -36.522
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: 13.232
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: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -972.919373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.919373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.919373 (E_RNA)
where:
Base-Base interactions energy: -670.221
where: short stacking energy: -298.061
Base-Backbone interact. energy: -0.817
local terms energy: -301.881986
where:
bonds (distance) C4'-P energy: -53.552
bonds (distance) P-C4' energy: -57.435
flat angles C4'-P-C4' energy: -66.310
flat angles P-C4'-P energy: -35.884
tors. eta vs tors. theta energy: -88.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -898.926520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.926520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.926520 (E_RNA)
where:
Base-Base interactions energy: -614.203
where: short stacking energy: -264.358
Base-Backbone interact. energy: -0.055
local terms energy: -284.668677
where:
bonds (distance) C4'-P energy: -49.287
bonds (distance) P-C4' energy: -57.121
flat angles C4'-P-C4' energy: -62.210
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -80.210
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: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -894.876187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.876187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.876187 (E_RNA)
where:
Base-Base interactions energy: -620.802
where: short stacking energy: -272.285
Base-Backbone interact. energy: -0.724
local terms energy: -273.350151
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -55.809
flat angles C4'-P-C4' energy: -62.587
flat angles P-C4'-P energy: -31.791
tors. eta vs tors. theta energy: -75.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -842.733673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.733673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.733673 (E_RNA)
where:
Base-Base interactions energy: -582.412
where: short stacking energy: -242.250
Base-Backbone interact. energy: -0.555
local terms energy: -259.766816
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -48.323
flat angles C4'-P-C4' energy: -50.942
flat angles P-C4'-P energy: -36.824
tors. eta vs tors. theta energy: -70.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -794.611215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.611215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.611215 (E_RNA)
where:
Base-Base interactions energy: -524.664
where: short stacking energy: -221.155
Base-Backbone interact. energy: -0.128
local terms energy: -269.818884
where:
bonds (distance) C4'-P energy: -51.749
bonds (distance) P-C4' energy: -58.177
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -62.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -803.867983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.867983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.867983 (E_RNA)
where:
Base-Base interactions energy: -539.138
where: short stacking energy: -239.099
Base-Backbone interact. energy: -0.254
local terms energy: -264.476473
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -65.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -734.374447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.374447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.374447 (E_RNA)
where:
Base-Base interactions energy: -510.300
where: short stacking energy: -208.342
Base-Backbone interact. energy: -2.084
local terms energy: -221.989886
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -38.151
flat angles C4'-P-C4' energy: -54.502
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -49.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -495.891708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.891708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.891708 (E_RNA)
where:
Base-Base interactions energy: -314.564
where: short stacking energy: -163.828
Base-Backbone interact. energy: 0.212
local terms energy: -181.539801
where:
bonds (distance) C4'-P energy: -31.476
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -32.795
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: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -565.447389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.447389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.447389 (E_RNA)
where:
Base-Base interactions energy: -373.429
where: short stacking energy: -139.510
Base-Backbone interact. energy: -1.746
local terms energy: -190.272290
where:
bonds (distance) C4'-P energy: -38.216
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -43.223
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -24.311
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: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -246.540872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.540872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.540872 (E_RNA)
where:
Base-Base interactions energy: -88.593
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.473
local terms energy: -157.474466
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -37.271
flat angles C4'-P-C4' energy: -44.645
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -4.478
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: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -979.316631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.316631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.316631 (E_RNA)
where:
Base-Base interactions energy: -670.908
where: short stacking energy: -301.728
Base-Backbone interact. energy: -1.167
local terms energy: -307.242124
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -57.120
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -48.140
tors. eta vs tors. theta energy: -89.447
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: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -936.576182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.576182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.576182 (E_RNA)
where:
Base-Base interactions energy: -641.491
where: short stacking energy: -292.103
Base-Backbone interact. energy: -0.634
local terms energy: -294.450665
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -59.075
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -84.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -884.573893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.573893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.573893 (E_RNA)
where:
Base-Base interactions energy: -608.165
where: short stacking energy: -273.533
Base-Backbone interact. energy: 1.605
local terms energy: -278.013947
where:
bonds (distance) C4'-P energy: -51.746
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -81.419
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -801.171200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.171200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.171200 (E_RNA)
where:
Base-Base interactions energy: -549.913
where: short stacking energy: -238.986
Base-Backbone interact. energy: -0.027
local terms energy: -251.231407
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -47.752
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: -74.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -814.578914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.578914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.578914 (E_RNA)
where:
Base-Base interactions energy: -557.711
where: short stacking energy: -235.915
Base-Backbone interact. energy: -0.653
local terms energy: -256.214965
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -31.801
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -791.052935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.052935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.052935 (E_RNA)
where:
Base-Base interactions energy: -536.910
where: short stacking energy: -227.978
Base-Backbone interact. energy: -0.818
local terms energy: -253.324291
where:
bonds (distance) C4'-P energy: -48.658
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -46.477
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: -63.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -728.947586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.947586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.947586 (E_RNA)
where:
Base-Base interactions energy: -489.497
where: short stacking energy: -206.225
Base-Backbone interact. energy: -2.200
local terms energy: -237.250147
where:
bonds (distance) C4'-P energy: -52.438
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -55.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -621.662832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.662832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.662832 (E_RNA)
where:
Base-Base interactions energy: -408.056
where: short stacking energy: -170.767
Base-Backbone interact. energy: -1.083
local terms energy: -212.523701
where:
bonds (distance) C4'-P energy: -54.718
bonds (distance) P-C4' energy: -46.078
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -42.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -458.674678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.674678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.674678 (E_RNA)
where:
Base-Base interactions energy: -289.844
where: short stacking energy: -135.215
Base-Backbone interact. energy: 1.530
local terms energy: -170.361000
where:
bonds (distance) C4'-P energy: -40.984
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -43.008
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -236.275465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.275465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.275465 (E_RNA)
where:
Base-Base interactions energy: -109.672
where: short stacking energy: -71.661
Base-Backbone interact. energy: 2.698
local terms energy: -129.301077
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: 15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -949.525972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.525972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.525972 (E_RNA)
where:
Base-Base interactions energy: -665.014
where: short stacking energy: -280.166
Base-Backbone interact. energy: 1.170
local terms energy: -285.681686
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -52.040
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: -84.008
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: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -940.888791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.888791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.888791 (E_RNA)
where:
Base-Base interactions energy: -651.032
where: short stacking energy: -296.357
Base-Backbone interact. energy: -0.177
local terms energy: -289.679753
where:
bonds (distance) C4'-P energy: -50.670
bonds (distance) P-C4' energy: -56.971
flat angles C4'-P-C4' energy: -54.161
flat angles P-C4'-P energy: -38.517
tors. eta vs tors. theta energy: -89.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -829.086913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.086913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.086913 (E_RNA)
where:
Base-Base interactions energy: -563.358
where: short stacking energy: -241.170
Base-Backbone interact. energy: 1.563
local terms energy: -267.292613
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -42.630
tors. eta vs tors. theta energy: -66.069
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: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -877.105570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.105570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.105570 (E_RNA)
where:
Base-Base interactions energy: -592.653
where: short stacking energy: -251.946
Base-Backbone interact. energy: -1.587
local terms energy: -282.865546
where:
bonds (distance) C4'-P energy: -46.515
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -66.143
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -77.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -818.727786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.727786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.727786 (E_RNA)
where:
Base-Base interactions energy: -553.488
where: short stacking energy: -257.157
Base-Backbone interact. energy: -0.326
local terms energy: -264.914317
where:
bonds (distance) C4'-P energy: -43.008
bonds (distance) P-C4' energy: -52.575
flat angles C4'-P-C4' energy: -51.625
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -76.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -806.301789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.301789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.301789 (E_RNA)
where:
Base-Base interactions energy: -551.971
where: short stacking energy: -238.935
Base-Backbone interact. energy: 0.960
local terms energy: -255.290490
where:
bonds (distance) C4'-P energy: -53.333
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -69.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -762.392793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.392793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.392793 (E_RNA)
where:
Base-Base interactions energy: -512.163
where: short stacking energy: -228.563
Base-Backbone interact. energy: 0.155
local terms energy: -250.384520
where:
bonds (distance) C4'-P energy: -43.198
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -50.974
flat angles P-C4'-P energy: -34.218
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: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -594.783633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.783633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.783633 (E_RNA)
where:
Base-Base interactions energy: -405.359
where: short stacking energy: -165.820
Base-Backbone interact. energy: 2.221
local terms energy: -191.645905
where:
bonds (distance) C4'-P energy: -32.327
bonds (distance) P-C4' energy: -51.085
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -32.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -460.737305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.737305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.737305 (E_RNA)
where:
Base-Base interactions energy: -262.170
where: short stacking energy: -119.597
Base-Backbone interact. energy: 0.658
local terms energy: -199.225631
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -55.201
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -20.448
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -238.305447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.305447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.305447 (E_RNA)
where:
Base-Base interactions energy: -75.270
where: short stacking energy: -73.900
Base-Backbone interact. energy: -0.771
local terms energy: -162.264194
where:
bonds (distance) C4'-P energy: -50.222
bonds (distance) P-C4' energy: -48.243
flat angles C4'-P-C4' energy: -43.963
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: 2.815
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: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -955.766420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.766420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.766420 (E_RNA)
where:
Base-Base interactions energy: -658.442
where: short stacking energy: -282.213
Base-Backbone interact. energy: -0.451
local terms energy: -296.872651
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -55.046
flat angles C4'-P-C4' energy: -57.132
flat angles P-C4'-P energy: -47.161
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: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -957.002766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.002766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.002766 (E_RNA)
where:
Base-Base interactions energy: -649.895
where: short stacking energy: -289.355
Base-Backbone interact. energy: -1.333
local terms energy: -305.774761
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -54.410
flat angles C4'-P-C4' energy: -66.569
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -88.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -835.795609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.795609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.795609 (E_RNA)
where:
Base-Base interactions energy: -577.715
where: short stacking energy: -238.168
Base-Backbone interact. energy: 0.550
local terms energy: -258.630321
where:
bonds (distance) C4'-P energy: -51.326
bonds (distance) P-C4' energy: -42.509
flat angles C4'-P-C4' energy: -52.532
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -71.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -828.861957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.861957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.861957 (E_RNA)
where:
Base-Base interactions energy: -571.299
where: short stacking energy: -229.823
Base-Backbone interact. energy: 0.743
local terms energy: -258.306266
where:
bonds (distance) C4'-P energy: -53.581
bonds (distance) P-C4' energy: -53.788
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -62.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -819.299484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.299484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.299484 (E_RNA)
where:
Base-Base interactions energy: -574.536
where: short stacking energy: -253.483
Base-Backbone interact. energy: -1.769
local terms energy: -242.993953
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -51.759
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -73.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -821.934148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.934148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.934148 (E_RNA)
where:
Base-Base interactions energy: -560.340
where: short stacking energy: -255.395
Base-Backbone interact. energy: -0.006
local terms energy: -261.588537
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -52.098
flat angles C4'-P-C4' energy: -52.159
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: -75.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -760.884578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.884578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.884578 (E_RNA)
where:
Base-Base interactions energy: -523.498
where: short stacking energy: -230.546
Base-Backbone interact. energy: -1.196
local terms energy: -236.190021
where:
bonds (distance) C4'-P energy: -51.262
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -42.060
flat angles P-C4'-P energy: -38.310
tors. eta vs tors. theta energy: -58.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -611.430745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.430745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.430745 (E_RNA)
where:
Base-Base interactions energy: -405.624
where: short stacking energy: -187.104
Base-Backbone interact. energy: -0.540
local terms energy: -205.266774
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -447.054958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.054958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.054958 (E_RNA)
where:
Base-Base interactions energy: -281.634
where: short stacking energy: -115.733
Base-Backbone interact. energy: -1.738
local terms energy: -163.683293
where:
bonds (distance) C4'-P energy: -39.294
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -43.641
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -216.180991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.180991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.180991 (E_RNA)
where:
Base-Base interactions energy: -74.651
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.656
local terms energy: -140.874060
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -45.122
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: 7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -971.590166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.590166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.590166 (E_RNA)
where:
Base-Base interactions energy: -668.564
where: short stacking energy: -299.030
Base-Backbone interact. energy: -0.707
local terms energy: -302.320084
where:
bonds (distance) C4'-P energy: -51.188
bonds (distance) P-C4' energy: -57.346
flat angles C4'-P-C4' energy: -60.112
flat angles P-C4'-P energy: -40.727
tors. eta vs tors. theta energy: -92.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -942.439544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.439544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.439544 (E_RNA)
where:
Base-Base interactions energy: -652.999
where: short stacking energy: -281.324
Base-Backbone interact. energy: 1.073
local terms energy: -290.513357
where:
bonds (distance) C4'-P energy: -56.447
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -55.918
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -83.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -890.823556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.823556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.823556 (E_RNA)
where:
Base-Base interactions energy: -594.247
where: short stacking energy: -266.866
Base-Backbone interact. energy: -2.127
local terms energy: -294.449234
where:
bonds (distance) C4'-P energy: -50.979
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -64.948
flat angles P-C4'-P energy: -38.947
tors. eta vs tors. theta energy: -82.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -809.018892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.018892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.018892 (E_RNA)
where:
Base-Base interactions energy: -561.541
where: short stacking energy: -233.782
Base-Backbone interact. energy: -0.726
local terms energy: -246.751790
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: -65.693
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: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -800.732836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.732836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.732836 (E_RNA)
where:
Base-Base interactions energy: -544.038
where: short stacking energy: -237.511
Base-Backbone interact. energy: -0.750
local terms energy: -255.945398
where:
bonds (distance) C4'-P energy: -37.231
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -68.836
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: 328
Temperature: 1.150000
Total energy: -812.278557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.278557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.278557 (E_RNA)
where:
Base-Base interactions energy: -553.705
where: short stacking energy: -248.362
Base-Backbone interact. energy: 6.293
local terms energy: -264.866402
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -52.617
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -35.351
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: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -748.425046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.425046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.425046 (E_RNA)
where:
Base-Base interactions energy: -497.819
where: short stacking energy: -211.552
Base-Backbone interact. energy: -0.291
local terms energy: -250.315737
where:
bonds (distance) C4'-P energy: -45.042
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -56.763
flat angles P-C4'-P energy: -33.357
tors. eta vs tors. theta energy: -62.760
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: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -577.333260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.333260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.333260 (E_RNA)
where:
Base-Base interactions energy: -360.651
where: short stacking energy: -156.008
Base-Backbone interact. energy: -1.092
local terms energy: -215.589894
where:
bonds (distance) C4'-P energy: -51.551
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -35.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -474.886367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.886367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.886367 (E_RNA)
where:
Base-Base interactions energy: -283.937
where: short stacking energy: -128.334
Base-Backbone interact. energy: -0.717
local terms energy: -190.232572
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -38.869
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -32.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -227.488528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.488528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.488528 (E_RNA)
where:
Base-Base interactions energy: -82.553
where: short stacking energy: -67.365
Base-Backbone interact. energy: -1.846
local terms energy: -143.089942
where:
bonds (distance) C4'-P energy: -41.627
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -33.164
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: 8.151
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: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -980.005641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.005641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.005641 (E_RNA)
where:
Base-Base interactions energy: -673.882
where: short stacking energy: -298.941
Base-Backbone interact. energy: -0.980
local terms energy: -305.143668
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -89.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -932.138940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.138940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.138940 (E_RNA)
where:
Base-Base interactions energy: -645.013
where: short stacking energy: -267.242
Base-Backbone interact. energy: 2.686
local terms energy: -289.812085
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -62.971
flat angles P-C4'-P energy: -30.157
tors. eta vs tors. theta energy: -85.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -872.725820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.725820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.725820 (E_RNA)
where:
Base-Base interactions energy: -590.039
where: short stacking energy: -242.373
Base-Backbone interact. energy: -2.024
local terms energy: -280.661929
where:
bonds (distance) C4'-P energy: -49.398
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -59.027
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -73.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -804.085708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.085708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.085708 (E_RNA)
where:
Base-Base interactions energy: -547.856
where: short stacking energy: -240.365
Base-Backbone interact. energy: 2.681
local terms energy: -258.910623
where:
bonds (distance) C4'-P energy: -45.327
bonds (distance) P-C4' energy: -45.690
flat angles C4'-P-C4' energy: -56.468
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -72.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -808.564381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.564381 (E_RNA)
where:
Base-Base interactions energy: -555.420
where: short stacking energy: -242.436
Base-Backbone interact. energy: -0.382
local terms energy: -252.762086
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -48.469
flat angles P-C4'-P energy: -38.765
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: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -790.870174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.870174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.870174 (E_RNA)
where:
Base-Base interactions energy: -543.037
where: short stacking energy: -252.608
Base-Backbone interact. energy: -0.949
local terms energy: -246.884641
where:
bonds (distance) C4'-P energy: -45.697
bonds (distance) P-C4' energy: -44.992
flat angles C4'-P-C4' energy: -44.835
flat angles P-C4'-P energy: -37.226
tors. eta vs tors. theta energy: -74.135
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -803.574017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.574017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.574017 (E_RNA)
where:
Base-Base interactions energy: -560.442
where: short stacking energy: -253.469
Base-Backbone interact. energy: -0.533
local terms energy: -242.599357
where:
bonds (distance) C4'-P energy: -40.111
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -53.559
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -76.598
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: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -606.899066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.899066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.899066 (E_RNA)
where:
Base-Base interactions energy: -392.643
where: short stacking energy: -167.087
Base-Backbone interact. energy: -0.530
local terms energy: -213.726157
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -38.933
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -430.878332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.878332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.878332 (E_RNA)
where:
Base-Base interactions energy: -251.709
where: short stacking energy: -120.550
Base-Backbone interact. energy: 0.450
local terms energy: -179.618459
where:
bonds (distance) C4'-P energy: -55.916
bonds (distance) P-C4' energy: -34.220
flat angles C4'-P-C4' energy: -39.950
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -227.022124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.022124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.022124 (E_RNA)
where:
Base-Base interactions energy: -86.656
where: short stacking energy: -74.412
Base-Backbone interact. energy: 1.421
local terms energy: -141.787637
where:
bonds (distance) C4'-P energy: -43.752
bonds (distance) P-C4' energy: -47.086
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: 3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -960.469038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.469038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.469038 (E_RNA)
where:
Base-Base interactions energy: -661.016
where: short stacking energy: -285.062
Base-Backbone interact. energy: 1.493
local terms energy: -300.945874
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -56.407
flat angles C4'-P-C4' energy: -58.795
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -90.806
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: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -953.331783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.331783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.331783 (E_RNA)
where:
Base-Base interactions energy: -665.887
where: short stacking energy: -293.776
Base-Backbone interact. energy: -1.890
local terms energy: -285.554786
where:
bonds (distance) C4'-P energy: -39.479
bonds (distance) P-C4' energy: -49.788
flat angles C4'-P-C4' energy: -59.332
flat angles P-C4'-P energy: -44.493
tors. eta vs tors. theta energy: -92.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -893.702989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.702989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.702989 (E_RNA)
where:
Base-Base interactions energy: -607.566
where: short stacking energy: -261.596
Base-Backbone interact. energy: -0.926
local terms energy: -285.210993
where:
bonds (distance) C4'-P energy: -48.492
bonds (distance) P-C4' energy: -50.423
flat angles C4'-P-C4' energy: -60.229
flat angles P-C4'-P energy: -47.938
tors. eta vs tors. theta energy: -78.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -836.516788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.516788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.516788 (E_RNA)
where:
Base-Base interactions energy: -566.833
where: short stacking energy: -238.689
Base-Backbone interact. energy: -0.286
local terms energy: -269.398348
where:
bonds (distance) C4'-P energy: -49.963
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -60.013
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -70.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -821.457113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.457113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.457113 (E_RNA)
where:
Base-Base interactions energy: -561.554
where: short stacking energy: -246.815
Base-Backbone interact. energy: -0.593
local terms energy: -259.310200
where:
bonds (distance) C4'-P energy: -54.177
bonds (distance) P-C4' energy: -42.846
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -46.311
tors. eta vs tors. theta energy: -66.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -791.550810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.550810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.550810 (E_RNA)
where:
Base-Base interactions energy: -539.733
where: short stacking energy: -247.273
Base-Backbone interact. energy: -0.980
local terms energy: -250.838068
where:
bonds (distance) C4'-P energy: -45.915
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -69.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -770.152767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.152767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.152767 (E_RNA)
where:
Base-Base interactions energy: -545.571
where: short stacking energy: -231.617
Base-Backbone interact. energy: -2.142
local terms energy: -222.439789
where:
bonds (distance) C4'-P energy: -38.247
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -44.061
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -62.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -609.178130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.178130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.178130 (E_RNA)
where:
Base-Base interactions energy: -405.152
where: short stacking energy: -167.205
Base-Backbone interact. energy: -0.135
local terms energy: -203.891148
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -43.108
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: -34.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -431.919850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.919850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.919850 (E_RNA)
where:
Base-Base interactions energy: -251.116
where: short stacking energy: -107.182
Base-Backbone interact. energy: -0.439
local terms energy: -180.364588
where:
bonds (distance) C4'-P energy: -40.590
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -40.579
flat angles P-C4'-P energy: -35.314
tors. eta vs tors. theta energy: -16.287
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: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -258.489400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.489400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.489400 (E_RNA)
where:
Base-Base interactions energy: -114.769
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.524
local terms energy: -143.196500
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -37.184
flat angles P-C4'-P energy: -27.966
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: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -959.399795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.399795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.399795 (E_RNA)
where:
Base-Base interactions energy: -655.300
where: short stacking energy: -289.106
Base-Backbone interact. energy: -0.336
local terms energy: -303.763793
where:
bonds (distance) C4'-P energy: -46.650
bonds (distance) P-C4' energy: -57.737
flat angles C4'-P-C4' energy: -65.543
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -88.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -959.203224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.203224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.203224 (E_RNA)
where:
Base-Base interactions energy: -665.790
where: short stacking energy: -280.129
Base-Backbone interact. energy: -1.687
local terms energy: -291.725766
where:
bonds (distance) C4'-P energy: -55.254
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -57.952
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -87.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -884.151349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.151349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.151349 (E_RNA)
where:
Base-Base interactions energy: -615.272
where: short stacking energy: -266.558
Base-Backbone interact. energy: -0.864
local terms energy: -268.015149
where:
bonds (distance) C4'-P energy: -41.284
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -75.967
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: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -815.067847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.067847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.067847 (E_RNA)
where:
Base-Base interactions energy: -559.815
where: short stacking energy: -249.572
Base-Backbone interact. energy: -0.215
local terms energy: -255.037379
where:
bonds (distance) C4'-P energy: -40.827
bonds (distance) P-C4' energy: -47.630
flat angles C4'-P-C4' energy: -64.856
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -69.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -814.247137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.247137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.247137 (E_RNA)
where:
Base-Base interactions energy: -556.710
where: short stacking energy: -237.843
Base-Backbone interact. energy: -0.631
local terms energy: -256.905904
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -47.844
flat angles C4'-P-C4' energy: -59.339
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -68.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -763.895211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.895211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.895211 (E_RNA)
where:
Base-Base interactions energy: -513.469
where: short stacking energy: -222.443
Base-Backbone interact. energy: -0.422
local terms energy: -250.003928
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -66.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -755.662898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.662898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.662898 (E_RNA)
where:
Base-Base interactions energy: -509.783
where: short stacking energy: -216.954
Base-Backbone interact. energy: -0.302
local terms energy: -245.577923
where:
bonds (distance) C4'-P energy: -49.516
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -60.352
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -62.157
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: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -619.632735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.632735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.632735 (E_RNA)
where:
Base-Base interactions energy: -411.897
where: short stacking energy: -174.695
Base-Backbone interact. energy: -0.222
local terms energy: -207.513753
where:
bonds (distance) C4'-P energy: -45.867
bonds (distance) P-C4' energy: -41.043
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -408.185910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.185910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.185910 (E_RNA)
where:
Base-Base interactions energy: -246.197
where: short stacking energy: -113.232
Base-Backbone interact. energy: 1.428
local terms energy: -163.416473
where:
bonds (distance) C4'-P energy: -43.908
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -270.907915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.907915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.907915 (E_RNA)
where:
Base-Base interactions energy: -118.767
where: short stacking energy: -88.713
Base-Backbone interact. energy: 1.209
local terms energy: -153.350454
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -7.982
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: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -957.377890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.377890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.377890 (E_RNA)
where:
Base-Base interactions energy: -666.911
where: short stacking energy: -284.295
Base-Backbone interact. energy: -1.736
local terms energy: -288.730794
where:
bonds (distance) C4'-P energy: -50.656
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -48.445
tors. eta vs tors. theta energy: -86.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -936.882307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.882307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.882307 (E_RNA)
where:
Base-Base interactions energy: -656.742
where: short stacking energy: -277.066
Base-Backbone interact. energy: -0.106
local terms energy: -280.034902
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -44.356
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: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -890.628333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.628333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.628333 (E_RNA)
where:
Base-Base interactions energy: -606.822
where: short stacking energy: -272.466
Base-Backbone interact. energy: -0.836
local terms energy: -282.971005
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -82.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -801.789873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.789873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.789873 (E_RNA)
where:
Base-Base interactions energy: -525.750
where: short stacking energy: -222.809
Base-Backbone interact. energy: -0.456
local terms energy: -275.584060
where:
bonds (distance) C4'-P energy: -45.555
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -68.697
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: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -826.918360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.918360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.918360 (E_RNA)
where:
Base-Base interactions energy: -566.993
where: short stacking energy: -252.936
Base-Backbone interact. energy: -0.054
local terms energy: -259.871555
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -54.797
flat angles P-C4'-P energy: -38.087
tors. eta vs tors. theta energy: -70.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -809.350246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.350246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.350246 (E_RNA)
where:
Base-Base interactions energy: -549.910
where: short stacking energy: -220.207
Base-Backbone interact. energy: -0.284
local terms energy: -259.156249
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -54.731
flat angles P-C4'-P energy: -43.829
tors. eta vs tors. theta energy: -69.831
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -780.389440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.389440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.389440 (E_RNA)
where:
Base-Base interactions energy: -539.963
where: short stacking energy: -239.143
Base-Backbone interact. energy: -0.869
local terms energy: -239.557785
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -39.681
flat angles C4'-P-C4' energy: -52.740
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -71.157
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: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -640.009336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.009336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.009336 (E_RNA)
where:
Base-Base interactions energy: -431.209
where: short stacking energy: -194.624
Base-Backbone interact. energy: 0.720
local terms energy: -209.520390
where:
bonds (distance) C4'-P energy: -50.485
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -45.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -416.763554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.763554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.763554 (E_RNA)
where:
Base-Base interactions energy: -228.073
where: short stacking energy: -120.141
Base-Backbone interact. energy: 0.393
local terms energy: -189.083633
where:
bonds (distance) C4'-P energy: -46.310
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -42.525
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -12.740
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: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -245.883497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.883497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.883497 (E_RNA)
where:
Base-Base interactions energy: -103.656
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.795
local terms energy: -141.431675
where:
bonds (distance) C4'-P energy: -43.463
bonds (distance) P-C4' energy: -45.859
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -970.047730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.047730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.047730 (E_RNA)
where:
Base-Base interactions energy: -671.402
where: short stacking energy: -292.344
Base-Backbone interact. energy: -1.267
local terms energy: -297.377879
where:
bonds (distance) C4'-P energy: -49.997
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -56.914
flat angles P-C4'-P energy: -43.078
tors. eta vs tors. theta energy: -90.781
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: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -935.920409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.920409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.920409 (E_RNA)
where:
Base-Base interactions energy: -662.405
where: short stacking energy: -279.453
Base-Backbone interact. energy: 0.821
local terms energy: -274.336490
where:
bonds (distance) C4'-P energy: -44.524
bonds (distance) P-C4' energy: -51.908
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -82.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -879.805638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.805638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.805638 (E_RNA)
where:
Base-Base interactions energy: -599.321
where: short stacking energy: -260.502
Base-Backbone interact. energy: -1.847
local terms energy: -278.637855
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -52.531
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -42.786
tors. eta vs tors. theta energy: -76.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -795.281638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.281638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.281638 (E_RNA)
where:
Base-Base interactions energy: -540.532
where: short stacking energy: -243.103
Base-Backbone interact. energy: -1.104
local terms energy: -253.645384
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -54.795
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -61.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -808.247124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.247124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.247124 (E_RNA)
where:
Base-Base interactions energy: -552.385
where: short stacking energy: -233.888
Base-Backbone interact. energy: -0.241
local terms energy: -255.620761
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -52.705
flat angles P-C4'-P energy: -40.316
tors. eta vs tors. theta energy: -64.211
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: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -786.576633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.576633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.576633 (E_RNA)
where:
Base-Base interactions energy: -545.897
where: short stacking energy: -236.947
Base-Backbone interact. energy: -3.336
local terms energy: -237.344017
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -52.139
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -65.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -772.179031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.179031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.179031 (E_RNA)
where:
Base-Base interactions energy: -542.093
where: short stacking energy: -223.221
Base-Backbone interact. energy: 0.496
local terms energy: -230.581578
where:
bonds (distance) C4'-P energy: -52.382
bonds (distance) P-C4' energy: -46.394
flat angles C4'-P-C4' energy: -45.071
flat angles P-C4'-P energy: -29.640
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -621.985998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.985998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.985998 (E_RNA)
where:
Base-Base interactions energy: -427.991
where: short stacking energy: -180.465
Base-Backbone interact. energy: -0.478
local terms energy: -193.517850
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -50.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -418.530298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.530298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.530298 (E_RNA)
where:
Base-Base interactions energy: -233.999
where: short stacking energy: -118.886
Base-Backbone interact. energy: -1.640
local terms energy: -182.891616
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -241.290680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.290680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.290680 (E_RNA)
where:
Base-Base interactions energy: -87.647
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.208
local terms energy: -153.435716
where:
bonds (distance) C4'-P energy: -49.445
bonds (distance) P-C4' energy: -43.909
flat angles C4'-P-C4' energy: -46.519
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: 7.593
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -965.429866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.429866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.429866 (E_RNA)
where:
Base-Base interactions energy: -653.998
where: short stacking energy: -296.819
Base-Backbone interact. energy: -2.188
local terms energy: -309.244322
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -55.903
flat angles C4'-P-C4' energy: -64.589
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -87.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -938.368496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.368496 (E_RNA)
where:
Base-Base interactions energy: -644.573
where: short stacking energy: -270.888
Base-Backbone interact. energy: -0.832
local terms energy: -292.963313
where:
bonds (distance) C4'-P energy: -46.759
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -61.967
flat angles P-C4'-P energy: -45.047
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: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -855.702503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.702503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.702503 (E_RNA)
where:
Base-Base interactions energy: -598.839
where: short stacking energy: -251.085
Base-Backbone interact. energy: -0.681
local terms energy: -256.182661
where:
bonds (distance) C4'-P energy: -53.125
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -51.022
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -66.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -804.772703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.772703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.772703 (E_RNA)
where:
Base-Base interactions energy: -541.890
where: short stacking energy: -240.563
Base-Backbone interact. energy: -2.040
local terms energy: -260.843242
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -60.228
flat angles C4'-P-C4' energy: -56.454
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -67.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -790.194544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.194544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.194544 (E_RNA)
where:
Base-Base interactions energy: -542.289
where: short stacking energy: -227.882
Base-Backbone interact. energy: -1.799
local terms energy: -246.106680
where:
bonds (distance) C4'-P energy: -45.106
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -64.778
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: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -748.973982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.973982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.973982 (E_RNA)
where:
Base-Base interactions energy: -521.386
where: short stacking energy: -203.978
Base-Backbone interact. energy: 0.001
local terms energy: -227.588897
where:
bonds (distance) C4'-P energy: -40.521
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -42.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -785.236317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.236317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.236317 (E_RNA)
where:
Base-Base interactions energy: -534.104
where: short stacking energy: -218.060
Base-Backbone interact. energy: -0.433
local terms energy: -250.699013
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -38.825
flat angles C4'-P-C4' energy: -54.757
flat angles P-C4'-P energy: -41.132
tors. eta vs tors. theta energy: -66.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -617.152280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.152280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.152280 (E_RNA)
where:
Base-Base interactions energy: -414.657
where: short stacking energy: -184.055
Base-Backbone interact. energy: -1.305
local terms energy: -201.190139
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -40.114
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -48.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -421.280445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.280445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.280445 (E_RNA)
where:
Base-Base interactions energy: -243.890
where: short stacking energy: -125.736
Base-Backbone interact. energy: 4.361
local terms energy: -181.751868
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -46.785
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -19.484
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: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -237.088682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.088682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.088682 (E_RNA)
where:
Base-Base interactions energy: -79.315
where: short stacking energy: -70.622
Base-Backbone interact. energy: -0.243
local terms energy: -157.530667
where:
bonds (distance) C4'-P energy: -48.722
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -33.035
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -966.296447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.296447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.296447 (E_RNA)
where:
Base-Base interactions energy: -647.856
where: short stacking energy: -291.090
Base-Backbone interact. energy: -1.026
local terms energy: -317.414863
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -66.314
flat angles P-C4'-P energy: -52.421
tors. eta vs tors. theta energy: -89.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -921.721315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.721315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.721315 (E_RNA)
where:
Base-Base interactions energy: -634.910
where: short stacking energy: -266.140
Base-Backbone interact. energy: -0.369
local terms energy: -286.441801
where:
bonds (distance) C4'-P energy: -53.582
bonds (distance) P-C4' energy: -56.087
flat angles C4'-P-C4' energy: -53.638
flat angles P-C4'-P energy: -41.983
tors. eta vs tors. theta energy: -81.153
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -852.296596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.296596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.296596 (E_RNA)
where:
Base-Base interactions energy: -592.863
where: short stacking energy: -245.648
Base-Backbone interact. energy: -0.488
local terms energy: -258.946354
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -34.701
tors. eta vs tors. theta energy: -69.450
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: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -841.671290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.671290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.671290 (E_RNA)
where:
Base-Base interactions energy: -574.442
where: short stacking energy: -252.655
Base-Backbone interact. energy: -0.030
local terms energy: -267.199148
where:
bonds (distance) C4'-P energy: -54.733
bonds (distance) P-C4' energy: -53.934
flat angles C4'-P-C4' energy: -59.009
flat angles P-C4'-P energy: -28.789
tors. eta vs tors. theta energy: -70.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -804.338923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.338923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.338923 (E_RNA)
where:
Base-Base interactions energy: -553.871
where: short stacking energy: -254.033
Base-Backbone interact. energy: -0.089
local terms energy: -250.379570
where:
bonds (distance) C4'-P energy: -47.211
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -68.227
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: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -796.883432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.883432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.883432 (E_RNA)
where:
Base-Base interactions energy: -559.547
where: short stacking energy: -241.323
Base-Backbone interact. energy: -0.522
local terms energy: -236.814628
where:
bonds (distance) C4'-P energy: -46.415
bonds (distance) P-C4' energy: -45.153
flat angles C4'-P-C4' energy: -57.835
flat angles P-C4'-P energy: -27.150
tors. eta vs tors. theta energy: -60.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -720.572460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.572460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.572460 (E_RNA)
where:
Base-Base interactions energy: -501.333
where: short stacking energy: -197.870
Base-Backbone interact. energy: -0.714
local terms energy: -218.525517
where:
bonds (distance) C4'-P energy: -52.009
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -49.774
flat angles P-C4'-P energy: -28.110
tors. eta vs tors. theta energy: -51.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -623.499790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.499790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.499790 (E_RNA)
where:
Base-Base interactions energy: -421.584
where: short stacking energy: -183.903
Base-Backbone interact. energy: 4.494
local terms energy: -206.410513
where:
bonds (distance) C4'-P energy: -38.954
bonds (distance) P-C4' energy: -51.456
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -18.413
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -412.302718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.302718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.302718 (E_RNA)
where:
Base-Base interactions energy: -239.755
where: short stacking energy: -120.656
Base-Backbone interact. energy: 0.144
local terms energy: -172.691611
where:
bonds (distance) C4'-P energy: -41.170
bonds (distance) P-C4' energy: -55.185
flat angles C4'-P-C4' energy: -39.202
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -226.833266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.833266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.833266 (E_RNA)
where:
Base-Base interactions energy: -76.447
where: short stacking energy: -72.855
Base-Backbone interact. energy: -1.034
local terms energy: -149.352027
where:
bonds (distance) C4'-P energy: -45.383
bonds (distance) P-C4' energy: -45.528
flat angles C4'-P-C4' energy: -30.224
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -954.977820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.977820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.977820 (E_RNA)
where:
Base-Base interactions energy: -649.213
where: short stacking energy: -302.201
Base-Backbone interact. energy: -0.153
local terms energy: -305.611857
where:
bonds (distance) C4'-P energy: -58.717
bonds (distance) P-C4' energy: -50.417
flat angles C4'-P-C4' energy: -58.849
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -91.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -955.409169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.409169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.409169 (E_RNA)
where:
Base-Base interactions energy: -656.949
where: short stacking energy: -283.868
Base-Backbone interact. energy: -0.589
local terms energy: -297.871118
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -53.955
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -91.488
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: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -871.568276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.568276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.568276 (E_RNA)
where:
Base-Base interactions energy: -584.492
where: short stacking energy: -255.006
Base-Backbone interact. energy: -1.215
local terms energy: -285.861890
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -76.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -854.990435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.990435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.990435 (E_RNA)
where:
Base-Base interactions energy: -590.181
where: short stacking energy: -250.963
Base-Backbone interact. energy: -1.005
local terms energy: -263.804260
where:
bonds (distance) C4'-P energy: -41.737
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -37.429
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: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -795.691127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.691127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.691127 (E_RNA)
where:
Base-Base interactions energy: -544.223
where: short stacking energy: -228.176
Base-Backbone interact. energy: -1.895
local terms energy: -249.573113
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -51.330
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -61.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -787.136411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.136411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.136411 (E_RNA)
where:
Base-Base interactions energy: -533.120
where: short stacking energy: -243.076
Base-Backbone interact. energy: -0.412
local terms energy: -253.603526
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -57.685
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -64.282
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -644.808938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.808938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.808938 (E_RNA)
where:
Base-Base interactions energy: -425.474
where: short stacking energy: -197.042
Base-Backbone interact. energy: -1.113
local terms energy: -218.221450
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -43.628
flat angles C4'-P-C4' energy: -51.398
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -46.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -716.073447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.073447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.073447 (E_RNA)
where:
Base-Base interactions energy: -482.481
where: short stacking energy: -201.369
Base-Backbone interact. energy: -0.147
local terms energy: -233.445204
where:
bonds (distance) C4'-P energy: -47.251
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -50.178
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -55.507
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: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -419.023857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.023857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.023857 (E_RNA)
where:
Base-Base interactions energy: -230.036
where: short stacking energy: -105.130
Base-Backbone interact. energy: -0.323
local terms energy: -188.664344
where:
bonds (distance) C4'-P energy: -36.329
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -52.668
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -231.037186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.037186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.037186 (E_RNA)
where:
Base-Base interactions energy: -69.644
where: short stacking energy: -47.278
Base-Backbone interact. energy: 0.930
local terms energy: -162.323457
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -26.809
tors. eta vs tors. theta energy: 4.281
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: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -963.576465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.576465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.576465 (E_RNA)
where:
Base-Base interactions energy: -664.537
where: short stacking energy: -280.688
Base-Backbone interact. energy: 0.062
local terms energy: -299.101762
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -62.035
flat angles C4'-P-C4' energy: -59.075
flat angles P-C4'-P energy: -37.952
tors. eta vs tors. theta energy: -86.250
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: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -881.769145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.769145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.769145 (E_RNA)
where:
Base-Base interactions energy: -585.000
where: short stacking energy: -269.073
Base-Backbone interact. energy: -0.505
local terms energy: -296.264349
where:
bonds (distance) C4'-P energy: -58.308
bonds (distance) P-C4' energy: -58.532
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -72.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -929.744487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.744487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.744487 (E_RNA)
where:
Base-Base interactions energy: -650.456
where: short stacking energy: -281.679
Base-Backbone interact. energy: 0.062
local terms energy: -279.351407
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -83.706
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: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -827.882402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.882402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.882402 (E_RNA)
where:
Base-Base interactions energy: -575.692
where: short stacking energy: -229.718
Base-Backbone interact. energy: 2.012
local terms energy: -254.202399
where:
bonds (distance) C4'-P energy: -41.235
bonds (distance) P-C4' energy: -50.958
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -32.099
tors. eta vs tors. theta energy: -68.937
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: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -778.958709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.958709 (E_RNA)
where:
Base-Base interactions energy: -533.721
where: short stacking energy: -227.060
Base-Backbone interact. energy: 0.333
local terms energy: -245.570366
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -35.072
tors. eta vs tors. theta energy: -57.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -717.567554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.567554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.567554 (E_RNA)
where:
Base-Base interactions energy: -497.240
where: short stacking energy: -201.038
Base-Backbone interact. energy: -0.800
local terms energy: -219.527494
where:
bonds (distance) C4'-P energy: -40.764
bonds (distance) P-C4' energy: -42.133
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -45.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -640.690185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.690185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.690185 (E_RNA)
where:
Base-Base interactions energy: -419.608
where: short stacking energy: -195.824
Base-Backbone interact. energy: 2.768
local terms energy: -223.850298
where:
bonds (distance) C4'-P energy: -41.259
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -53.116
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -728.456945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.456945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.456945 (E_RNA)
where:
Base-Base interactions energy: -510.107
where: short stacking energy: -207.463
Base-Backbone interact. energy: -1.178
local terms energy: -217.171838
where:
bonds (distance) C4'-P energy: -40.002
bonds (distance) P-C4' energy: -44.752
flat angles C4'-P-C4' energy: -52.897
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -45.396
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: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -446.574893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.574893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.574893 (E_RNA)
where:
Base-Base interactions energy: -269.139
where: short stacking energy: -141.360
Base-Backbone interact. energy: -0.729
local terms energy: -176.706587
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -49.055
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -222.817079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.817079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.817079 (E_RNA)
where:
Base-Base interactions energy: -85.378
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.846
local terms energy: -136.593549
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -31.144
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: 11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -962.671895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.671895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.671895 (E_RNA)
where:
Base-Base interactions energy: -665.091
where: short stacking energy: -289.518
Base-Backbone interact. energy: -0.330
local terms energy: -297.250577
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -57.587
flat angles C4'-P-C4' energy: -62.632
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -85.519
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: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -872.762006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.762006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.762006 (E_RNA)
where:
Base-Base interactions energy: -599.001
where: short stacking energy: -244.275
Base-Backbone interact. energy: -0.563
local terms energy: -273.197832
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -63.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -931.036516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.036516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.036516 (E_RNA)
where:
Base-Base interactions energy: -652.852
where: short stacking energy: -285.055
Base-Backbone interact. energy: 0.491
local terms energy: -278.675577
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -49.356
flat angles C4'-P-C4' energy: -60.065
flat angles P-C4'-P energy: -38.980
tors. eta vs tors. theta energy: -83.287
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: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -810.627323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.627323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.627323 (E_RNA)
where:
Base-Base interactions energy: -556.277
where: short stacking energy: -245.616
Base-Backbone interact. energy: -0.451
local terms energy: -253.898518
where:
bonds (distance) C4'-P energy: -45.220
bonds (distance) P-C4' energy: -54.330
flat angles C4'-P-C4' energy: -55.142
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -62.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -782.551202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.551202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.551202 (E_RNA)
where:
Base-Base interactions energy: -536.456
where: short stacking energy: -232.833
Base-Backbone interact. energy: -0.556
local terms energy: -245.538761
where:
bonds (distance) C4'-P energy: -48.097
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -53.610
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -63.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -705.450930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.450930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.450930 (E_RNA)
where:
Base-Base interactions energy: -478.325
where: short stacking energy: -196.617
Base-Backbone interact. energy: -1.438
local terms energy: -225.687850
where:
bonds (distance) C4'-P energy: -51.760
bonds (distance) P-C4' energy: -44.049
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -35.203
tors. eta vs tors. theta energy: -44.111
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -748.819940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.819940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.819940 (E_RNA)
where:
Base-Base interactions energy: -525.442
where: short stacking energy: -222.189
Base-Backbone interact. energy: -0.171
local terms energy: -223.206818
where:
bonds (distance) C4'-P energy: -32.195
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -60.556
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -59.431
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: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -624.029355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.029355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.029355 (E_RNA)
where:
Base-Base interactions energy: -389.502
where: short stacking energy: -163.107
Base-Backbone interact. energy: -0.942
local terms energy: -233.586150
where:
bonds (distance) C4'-P energy: -51.411
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -47.018
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -40.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -481.958532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.958532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.958532 (E_RNA)
where:
Base-Base interactions energy: -289.394
where: short stacking energy: -137.472
Base-Backbone interact. energy: -0.618
local terms energy: -191.947076
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -54.406
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -27.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -228.121759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.121759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.121759 (E_RNA)
where:
Base-Base interactions energy: -66.336
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.530
local terms energy: -161.256170
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -44.931
flat angles C4'-P-C4' energy: -37.073
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -973.157007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.157007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.157007 (E_RNA)
where:
Base-Base interactions energy: -674.769
where: short stacking energy: -288.081
Base-Backbone interact. energy: -0.847
local terms energy: -297.540499
where:
bonds (distance) C4'-P energy: -54.837
bonds (distance) P-C4' energy: -55.258
flat angles C4'-P-C4' energy: -62.368
flat angles P-C4'-P energy: -36.439
tors. eta vs tors. theta energy: -88.639
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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -930.708167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.708167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.708167 (E_RNA)
where:
Base-Base interactions energy: -658.272
where: short stacking energy: -276.191
Base-Backbone interact. energy: -0.455
local terms energy: -271.981195
where:
bonds (distance) C4'-P energy: -51.697
bonds (distance) P-C4' energy: -41.376
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -82.721
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: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -864.667259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.667259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.667259 (E_RNA)
where:
Base-Base interactions energy: -587.627
where: short stacking energy: -274.701
Base-Backbone interact. energy: -0.361
local terms energy: -276.679558
where:
bonds (distance) C4'-P energy: -39.027
bonds (distance) P-C4' energy: -56.062
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -80.972
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: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -825.747549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.747549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.747549 (E_RNA)
where:
Base-Base interactions energy: -561.505
where: short stacking energy: -239.094
Base-Backbone interact. energy: -0.695
local terms energy: -263.547462
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -56.498
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -34.285
tors. eta vs tors. theta energy: -67.202
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: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -774.877153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.877153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.877153 (E_RNA)
where:
Base-Base interactions energy: -524.078
where: short stacking energy: -217.031
Base-Backbone interact. energy: -0.949
local terms energy: -249.850197
where:
bonds (distance) C4'-P energy: -38.594
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -62.183
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -72.001
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: 339
Temperature: 1.150000
Total energy: -744.378688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.378688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.378688 (E_RNA)
where:
Base-Base interactions energy: -528.019
where: short stacking energy: -217.381
Base-Backbone interact. energy: 0.674
local terms energy: -217.034553
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -41.192
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -53.142
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: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -715.933393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.933393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.933393 (E_RNA)
where:
Base-Base interactions energy: -489.017
where: short stacking energy: -210.312
Base-Backbone interact. energy: -1.254
local terms energy: -225.662736
where:
bonds (distance) C4'-P energy: -43.157
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -50.676
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -58.137
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -607.437020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.437020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.437020 (E_RNA)
where:
Base-Base interactions energy: -401.061
where: short stacking energy: -196.307
Base-Backbone interact. energy: 2.597
local terms energy: -208.973370
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -49.711
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -46.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -452.291975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.291975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.291975 (E_RNA)
where:
Base-Base interactions energy: -267.732
where: short stacking energy: -134.668
Base-Backbone interact. energy: 1.447
local terms energy: -186.006805
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -44.357
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -22.138
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: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -219.251951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.251951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.251951 (E_RNA)
where:
Base-Base interactions energy: -72.455
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.426
local terms energy: -146.370802
where:
bonds (distance) C4'-P energy: -50.623
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: 6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -956.387391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.387391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.387391 (E_RNA)
where:
Base-Base interactions energy: -657.500
where: short stacking energy: -291.254
Base-Backbone interact. energy: -0.338
local terms energy: -298.549543
where:
bonds (distance) C4'-P energy: -49.297
bonds (distance) P-C4' energy: -57.588
flat angles C4'-P-C4' energy: -60.743
flat angles P-C4'-P energy: -47.025
tors. eta vs tors. theta energy: -83.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -933.457633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.457633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.457633 (E_RNA)
where:
Base-Base interactions energy: -650.145
where: short stacking energy: -294.180
Base-Backbone interact. energy: -1.168
local terms energy: -282.144058
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -39.032
flat angles C4'-P-C4' energy: -59.255
flat angles P-C4'-P energy: -44.832
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -857.636522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.636522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.636522 (E_RNA)
where:
Base-Base interactions energy: -581.036
where: short stacking energy: -250.151
Base-Backbone interact. energy: -0.374
local terms energy: -276.226137
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -49.986
flat angles C4'-P-C4' energy: -53.339
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: -78.645
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: 340
Temperature: 1.050000
Total energy: -845.758098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.758098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.758098 (E_RNA)
where:
Base-Base interactions energy: -568.385
where: short stacking energy: -267.937
Base-Backbone interact. energy: 0.348
local terms energy: -277.720780
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -52.016
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -74.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -767.834019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.834019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.834019 (E_RNA)
where:
Base-Base interactions energy: -532.854
where: short stacking energy: -219.589
Base-Backbone interact. energy: -0.861
local terms energy: -234.118808
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -54.645
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -30.791
tors. eta vs tors. theta energy: -55.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -764.610123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.610123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.610123 (E_RNA)
where:
Base-Base interactions energy: -524.236
where: short stacking energy: -220.379
Base-Backbone interact. energy: -0.764
local terms energy: -239.609545
where:
bonds (distance) C4'-P energy: -47.543
bonds (distance) P-C4' energy: -41.461
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -57.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -720.471778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.471778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.471778 (E_RNA)
where:
Base-Base interactions energy: -496.284
where: short stacking energy: -210.761
Base-Backbone interact. energy: -1.477
local terms energy: -222.711150
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -44.242
flat angles C4'-P-C4' energy: -46.983
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -54.580
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: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -586.625011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.625011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.625011 (E_RNA)
where:
Base-Base interactions energy: -374.140
where: short stacking energy: -162.659
Base-Backbone interact. energy: -1.645
local terms energy: -210.840809
where:
bonds (distance) C4'-P energy: -46.025
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -38.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -443.533609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.533609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.533609 (E_RNA)
where:
Base-Base interactions energy: -247.032
where: short stacking energy: -116.996
Base-Backbone interact. energy: 1.304
local terms energy: -197.805858
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -49.694
flat angles C4'-P-C4' energy: -43.107
flat angles P-C4'-P energy: -33.918
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -228.056757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.056757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.056757 (E_RNA)
where:
Base-Base interactions energy: -92.991
where: short stacking energy: -87.394
Base-Backbone interact. energy: 0.316
local terms energy: -135.382311
where:
bonds (distance) C4'-P energy: -33.850
bonds (distance) P-C4' energy: -42.702
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -0.423
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: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -961.748756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.748756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.748756 (E_RNA)
where:
Base-Base interactions energy: -667.961
where: short stacking energy: -282.160
Base-Backbone interact. energy: -0.858
local terms energy: -292.930058
where:
bonds (distance) C4'-P energy: -43.740
bonds (distance) P-C4' energy: -57.664
flat angles C4'-P-C4' energy: -62.603
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -88.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -939.445028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.445028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.445028 (E_RNA)
where:
Base-Base interactions energy: -643.998
where: short stacking energy: -283.309
Base-Backbone interact. energy: 0.578
local terms energy: -296.024941
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -49.629
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -82.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -870.744179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.744179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.744179 (E_RNA)
where:
Base-Base interactions energy: -602.535
where: short stacking energy: -262.216
Base-Backbone interact. energy: -0.188
local terms energy: -268.021488
where:
bonds (distance) C4'-P energy: -46.874
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -53.334
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -79.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -851.799706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.799706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.799706 (E_RNA)
where:
Base-Base interactions energy: -576.217
where: short stacking energy: -266.250
Base-Backbone interact. energy: 0.329
local terms energy: -275.912323
where:
bonds (distance) C4'-P energy: -50.165
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -60.802
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -73.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -781.258721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.258721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.258721 (E_RNA)
where:
Base-Base interactions energy: -528.842
where: short stacking energy: -225.864
Base-Backbone interact. energy: -0.925
local terms energy: -251.492445
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -52.047
flat angles C4'-P-C4' energy: -63.154
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -62.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -763.593682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.593682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.593682 (E_RNA)
where:
Base-Base interactions energy: -515.814
where: short stacking energy: -224.645
Base-Backbone interact. energy: 0.901
local terms energy: -248.680684
where:
bonds (distance) C4'-P energy: -49.220
bonds (distance) P-C4' energy: -40.576
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -39.881
tors. eta vs tors. theta energy: -61.289
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: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -736.127791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.127791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.127791 (E_RNA)
where:
Base-Base interactions energy: -519.191
where: short stacking energy: -211.243
Base-Backbone interact. energy: -0.755
local terms energy: -216.181712
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -39.117
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: -60.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -678.402481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.402481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.402481 (E_RNA)
where:
Base-Base interactions energy: -467.771
where: short stacking energy: -201.286
Base-Backbone interact. energy: -0.771
local terms energy: -209.859826
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -50.562
flat angles P-C4'-P energy: -35.375
tors. eta vs tors. theta energy: -50.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -426.466656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.466656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.466656 (E_RNA)
where:
Base-Base interactions energy: -252.415
where: short stacking energy: -111.259
Base-Backbone interact. energy: 0.061
local terms energy: -174.112440
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -46.317
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -220.728151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.728151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.728151 (E_RNA)
where:
Base-Base interactions energy: -71.328
where: short stacking energy: -57.777
Base-Backbone interact. energy: -0.142
local terms energy: -149.258145
where:
bonds (distance) C4'-P energy: -46.606
bonds (distance) P-C4' energy: -50.744
flat angles C4'-P-C4' energy: -38.199
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: 12.616
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: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -942.207061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.207061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.207061 (E_RNA)
where:
Base-Base interactions energy: -649.423
where: short stacking energy: -283.576
Base-Backbone interact. energy: -0.810
local terms energy: -291.974466
where:
bonds (distance) C4'-P energy: -54.015
bonds (distance) P-C4' energy: -55.190
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -42.995
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: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -964.775012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.775012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.775012 (E_RNA)
where:
Base-Base interactions energy: -656.794
where: short stacking energy: -282.061
Base-Backbone interact. energy: -0.524
local terms energy: -307.456931
where:
bonds (distance) C4'-P energy: -53.789
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -63.304
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -89.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -854.240443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.240443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.240443 (E_RNA)
where:
Base-Base interactions energy: -575.813
where: short stacking energy: -246.244
Base-Backbone interact. energy: -0.558
local terms energy: -277.868758
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -53.946
flat angles C4'-P-C4' energy: -65.772
flat angles P-C4'-P energy: -44.127
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: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -847.527836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.527836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.527836 (E_RNA)
where:
Base-Base interactions energy: -585.997
where: short stacking energy: -250.663
Base-Backbone interact. energy: 0.426
local terms energy: -261.956780
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -54.296
flat angles C4'-P-C4' energy: -61.845
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -75.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -789.316500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.316500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.316500 (E_RNA)
where:
Base-Base interactions energy: -524.712
where: short stacking energy: -215.350
Base-Backbone interact. energy: 2.285
local terms energy: -266.890136
where:
bonds (distance) C4'-P energy: -58.041
bonds (distance) P-C4' energy: -54.623
flat angles C4'-P-C4' energy: -60.386
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -60.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -745.558615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.558615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.558615 (E_RNA)
where:
Base-Base interactions energy: -513.143
where: short stacking energy: -225.546
Base-Backbone interact. energy: -0.781
local terms energy: -231.635007
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -54.730
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -54.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -720.553554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.553554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.553554 (E_RNA)
where:
Base-Base interactions energy: -478.864
where: short stacking energy: -195.614
Base-Backbone interact. energy: 0.501
local terms energy: -242.190073
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -51.307
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -58.225
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: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -670.713983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.713983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.713983 (E_RNA)
where:
Base-Base interactions energy: -463.256
where: short stacking energy: -200.527
Base-Backbone interact. energy: 0.402
local terms energy: -207.859766
where:
bonds (distance) C4'-P energy: -35.737
bonds (distance) P-C4' energy: -45.908
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: -49.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -462.064000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.064000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.064000 (E_RNA)
where:
Base-Base interactions energy: -288.288
where: short stacking energy: -139.140
Base-Backbone interact. energy: -0.513
local terms energy: -173.262754
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -42.282
flat angles C4'-P-C4' energy: -38.146
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -34.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -226.457784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.457784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.457784 (E_RNA)
where:
Base-Base interactions energy: -71.073
where: short stacking energy: -60.317
Base-Backbone interact. energy: -1.151
local terms energy: -154.234081
where:
bonds (distance) C4'-P energy: -49.880
bonds (distance) P-C4' energy: -49.357
flat angles C4'-P-C4' energy: -40.186
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: 11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -980.197382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.197382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.197382 (E_RNA)
where:
Base-Base interactions energy: -681.132
where: short stacking energy: -301.230
Base-Backbone interact. energy: -1.398
local terms energy: -297.667331
where:
bonds (distance) C4'-P energy: -56.985
bonds (distance) P-C4' energy: -55.614
flat angles C4'-P-C4' energy: -60.597
flat angles P-C4'-P energy: -39.847
tors. eta vs tors. theta energy: -84.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -938.446123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.446123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.446123 (E_RNA)
where:
Base-Base interactions energy: -657.042
where: short stacking energy: -276.723
Base-Backbone interact. energy: -0.663
local terms energy: -280.741560
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -51.296
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -32.530
tors. eta vs tors. theta energy: -84.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -887.447126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.447126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.447126 (E_RNA)
where:
Base-Base interactions energy: -607.374
where: short stacking energy: -272.367
Base-Backbone interact. energy: -1.314
local terms energy: -278.758541
where:
bonds (distance) C4'-P energy: -46.906
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -83.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -809.701213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.701213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.701213 (E_RNA)
where:
Base-Base interactions energy: -554.037
where: short stacking energy: -231.834
Base-Backbone interact. energy: 1.661
local terms energy: -257.325776
where:
bonds (distance) C4'-P energy: -53.275
bonds (distance) P-C4' energy: -54.683
flat angles C4'-P-C4' energy: -52.632
flat angles P-C4'-P energy: -35.405
tors. eta vs tors. theta energy: -61.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -835.417267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.417267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.417267 (E_RNA)
where:
Base-Base interactions energy: -584.239
where: short stacking energy: -247.552
Base-Backbone interact. energy: 2.382
local terms energy: -253.559930
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -39.179
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -24.610
tors. eta vs tors. theta energy: -76.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -733.458872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.458872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.458872 (E_RNA)
where:
Base-Base interactions energy: -500.362
where: short stacking energy: -217.064
Base-Backbone interact. energy: -1.229
local terms energy: -231.867822
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -46.814
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -42.722
tors. eta vs tors. theta energy: -53.007
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: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -714.377111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.377111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.377111 (E_RNA)
where:
Base-Base interactions energy: -498.533
where: short stacking energy: -190.807
Base-Backbone interact. energy: -0.356
local terms energy: -215.488705
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -42.545
flat angles C4'-P-C4' energy: -53.555
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: -48.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -676.867016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.867016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.867016 (E_RNA)
where:
Base-Base interactions energy: -464.445
where: short stacking energy: -199.427
Base-Backbone interact. energy: 0.986
local terms energy: -213.407722
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -33.324
tors. eta vs tors. theta energy: -46.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -446.003434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.003434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.003434 (E_RNA)
where:
Base-Base interactions energy: -258.199
where: short stacking energy: -121.177
Base-Backbone interact. energy: 2.298
local terms energy: -190.102476
where:
bonds (distance) C4'-P energy: -39.822
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -58.294
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: -20.440
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: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -208.869651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.869651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.869651 (E_RNA)
where:
Base-Base interactions energy: -68.616
where: short stacking energy: -58.043
Base-Backbone interact. energy: 0.130
local terms energy: -140.383857
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -38.769
flat angles P-C4'-P energy: -20.864
tors. eta vs tors. theta energy: 6.716
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: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -947.627789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.627789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.627789 (E_RNA)
where:
Base-Base interactions energy: -647.034
where: short stacking energy: -278.924
Base-Backbone interact. energy: -1.344
local terms energy: -299.250005
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -58.688
flat angles C4'-P-C4' energy: -68.442
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -86.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -950.935823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.935823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.935823 (E_RNA)
where:
Base-Base interactions energy: -664.391
where: short stacking energy: -267.957
Base-Backbone interact. energy: -0.411
local terms energy: -286.134516
where:
bonds (distance) C4'-P energy: -54.193
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -58.173
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -84.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -873.655695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.655695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.655695 (E_RNA)
where:
Base-Base interactions energy: -599.709
where: short stacking energy: -265.480
Base-Backbone interact. energy: 1.166
local terms energy: -275.112257
where:
bonds (distance) C4'-P energy: -44.209
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -64.384
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -73.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -819.494884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.494884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.494884 (E_RNA)
where:
Base-Base interactions energy: -579.956
where: short stacking energy: -267.346
Base-Backbone interact. energy: -0.070
local terms energy: -239.468992
where:
bonds (distance) C4'-P energy: -42.832
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -46.430
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -69.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -851.879520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.879520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.879520 (E_RNA)
where:
Base-Base interactions energy: -584.897
where: short stacking energy: -254.255
Base-Backbone interact. energy: 0.724
local terms energy: -267.705851
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -49.058
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -75.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -744.450768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.450768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.450768 (E_RNA)
where:
Base-Base interactions energy: -501.142
where: short stacking energy: -209.289
Base-Backbone interact. energy: -0.600
local terms energy: -242.708956
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -58.564
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: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -702.559344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.559344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.559344 (E_RNA)
where:
Base-Base interactions energy: -488.830
where: short stacking energy: -216.363
Base-Backbone interact. energy: -1.158
local terms energy: -212.571400
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -50.913
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -669.668403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.668403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.668403 (E_RNA)
where:
Base-Base interactions energy: -452.987
where: short stacking energy: -185.295
Base-Backbone interact. energy: -0.949
local terms energy: -215.732708
where:
bonds (distance) C4'-P energy: -38.989
bonds (distance) P-C4' energy: -40.228
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -45.636
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: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -441.673496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.673496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.673496 (E_RNA)
where:
Base-Base interactions energy: -243.483
where: short stacking energy: -128.846
Base-Backbone interact. energy: -1.234
local terms energy: -196.956661
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -49.821
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -18.138
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: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -217.731849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.731849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.731849 (E_RNA)
where:
Base-Base interactions energy: -73.466
where: short stacking energy: -53.875
Base-Backbone interact. energy: 1.822
local terms energy: -146.088397
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -56.158
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: 8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -946.158417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.158417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.158417 (E_RNA)
where:
Base-Base interactions energy: -653.652
where: short stacking energy: -274.740
Base-Backbone interact. energy: -2.198
local terms energy: -290.308511
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -58.487
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -81.884
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: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -949.481173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.481173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.481173 (E_RNA)
where:
Base-Base interactions energy: -647.203
where: short stacking energy: -275.536
Base-Backbone interact. energy: -0.713
local terms energy: -301.564510
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -53.357
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -45.586
tors. eta vs tors. theta energy: -87.240
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -885.448559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.448559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.448559 (E_RNA)
where:
Base-Base interactions energy: -591.348
where: short stacking energy: -268.784
Base-Backbone interact. energy: -0.889
local terms energy: -293.212181
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -54.453
flat angles C4'-P-C4' energy: -65.872
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -81.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -852.633908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.633908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.633908 (E_RNA)
where:
Base-Base interactions energy: -588.813
where: short stacking energy: -247.443
Base-Backbone interact. energy: -1.534
local terms energy: -262.286922
where:
bonds (distance) C4'-P energy: -48.716
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -53.388
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -67.039
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: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -816.623548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.623548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.623548 (E_RNA)
where:
Base-Base interactions energy: -571.347
where: short stacking energy: -219.000
Base-Backbone interact. energy: 0.695
local terms energy: -245.971696
where:
bonds (distance) C4'-P energy: -49.717
bonds (distance) P-C4' energy: -52.255
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -36.749
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: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -738.682033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.682033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.682033 (E_RNA)
where:
Base-Base interactions energy: -494.995
where: short stacking energy: -211.736
Base-Backbone interact. energy: -0.376
local terms energy: -243.310883
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -55.944
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -63.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -727.119523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.119523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.119523 (E_RNA)
where:
Base-Base interactions energy: -503.085
where: short stacking energy: -202.069
Base-Backbone interact. energy: -1.132
local terms energy: -222.903206
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -50.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -663.008698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.008698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.008698 (E_RNA)
where:
Base-Base interactions energy: -460.444
where: short stacking energy: -199.653
Base-Backbone interact. energy: -0.688
local terms energy: -201.876729
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -30.878
tors. eta vs tors. theta energy: -48.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -397.033950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.033950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.033950 (E_RNA)
where:
Base-Base interactions energy: -222.642
where: short stacking energy: -121.197
Base-Backbone interact. energy: 0.138
local terms energy: -174.529993
where:
bonds (distance) C4'-P energy: -53.560
bonds (distance) P-C4' energy: -38.030
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -208.042915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.042915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.042915 (E_RNA)
where:
Base-Base interactions energy: -67.488
where: short stacking energy: -53.455
Base-Backbone interact. energy: -1.036
local terms energy: -139.519549
where:
bonds (distance) C4'-P energy: -43.922
bonds (distance) P-C4' energy: -49.097
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: 13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -966.893448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.893448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.893448 (E_RNA)
where:
Base-Base interactions energy: -668.656
where: short stacking energy: -291.589
Base-Backbone interact. energy: 0.384
local terms energy: -298.621267
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -62.100
flat angles C4'-P-C4' energy: -57.454
flat angles P-C4'-P energy: -41.043
tors. eta vs tors. theta energy: -89.366
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: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -935.539084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.539084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.539084 (E_RNA)
where:
Base-Base interactions energy: -655.021
where: short stacking energy: -291.372
Base-Backbone interact. energy: 1.099
local terms energy: -281.616598
where:
bonds (distance) C4'-P energy: -46.658
bonds (distance) P-C4' energy: -51.235
flat angles C4'-P-C4' energy: -62.437
flat angles P-C4'-P energy: -35.223
tors. eta vs tors. theta energy: -86.064
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: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -854.854888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.854888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.854888 (E_RNA)
where:
Base-Base interactions energy: -585.628
where: short stacking energy: -257.571
Base-Backbone interact. energy: 2.162
local terms energy: -271.388799
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -48.057
flat angles C4'-P-C4' energy: -55.922
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -77.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -863.693692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.693692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.693692 (E_RNA)
where:
Base-Base interactions energy: -582.052
where: short stacking energy: -263.531
Base-Backbone interact. energy: 1.232
local terms energy: -282.873050
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -44.286
flat angles C4'-P-C4' energy: -64.272
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -80.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -824.371218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.371218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.371218 (E_RNA)
where:
Base-Base interactions energy: -566.260
where: short stacking energy: -243.602
Base-Backbone interact. energy: 6.897
local terms energy: -265.008483
where:
bonds (distance) C4'-P energy: -47.043
bonds (distance) P-C4' energy: -57.009
flat angles C4'-P-C4' energy: -57.233
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: -70.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -748.728396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.728396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.728396 (E_RNA)
where:
Base-Base interactions energy: -499.887
where: short stacking energy: -224.796
Base-Backbone interact. energy: -0.197
local terms energy: -248.644465
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -49.528
flat angles C4'-P-C4' energy: -53.752
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -66.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -690.195603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.195603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.195603 (E_RNA)
where:
Base-Base interactions energy: -449.204
where: short stacking energy: -172.805
Base-Backbone interact. energy: -1.148
local terms energy: -239.843492
where:
bonds (distance) C4'-P energy: -42.670
bonds (distance) P-C4' energy: -55.925
flat angles C4'-P-C4' energy: -58.105
flat angles P-C4'-P energy: -32.453
tors. eta vs tors. theta energy: -50.691
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: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -667.152400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.152400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.152400 (E_RNA)
where:
Base-Base interactions energy: -445.044
where: short stacking energy: -183.105
Base-Backbone interact. energy: -0.341
local terms energy: -221.767614
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -56.478
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -54.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -397.365324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.365324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.365324 (E_RNA)
where:
Base-Base interactions energy: -229.340
where: short stacking energy: -121.876
Base-Backbone interact. energy: 1.253
local terms energy: -169.279064
where:
bonds (distance) C4'-P energy: -38.708
bonds (distance) P-C4' energy: -44.301
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -220.704716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.704716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.704716 (E_RNA)
where:
Base-Base interactions energy: -82.304
where: short stacking energy: -64.886
Base-Backbone interact. energy: -1.628
local terms energy: -136.772233
where:
bonds (distance) C4'-P energy: -44.197
bonds (distance) P-C4' energy: -50.100
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: 14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -964.569422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.569422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.569422 (E_RNA)
where:
Base-Base interactions energy: -658.287
where: short stacking energy: -290.209
Base-Backbone interact. energy: 0.026
local terms energy: -306.308621
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -62.577
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -89.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -922.532982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.532982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.532982 (E_RNA)
where:
Base-Base interactions energy: -627.352
where: short stacking energy: -272.721
Base-Backbone interact. energy: -0.598
local terms energy: -294.583309
where:
bonds (distance) C4'-P energy: -53.562
bonds (distance) P-C4' energy: -55.559
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -88.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -867.848300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.848300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.848300 (E_RNA)
where:
Base-Base interactions energy: -591.079
where: short stacking energy: -271.572
Base-Backbone interact. energy: -0.698
local terms energy: -276.071797
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -46.197
tors. eta vs tors. theta energy: -75.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -880.594042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.594042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.594042 (E_RNA)
where:
Base-Base interactions energy: -596.226
where: short stacking energy: -267.581
Base-Backbone interact. energy: -1.049
local terms energy: -283.319635
where:
bonds (distance) C4'-P energy: -51.622
bonds (distance) P-C4' energy: -50.749
flat angles C4'-P-C4' energy: -58.195
flat angles P-C4'-P energy: -37.721
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -826.817187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.817187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.817187 (E_RNA)
where:
Base-Base interactions energy: -570.945
where: short stacking energy: -252.877
Base-Backbone interact. energy: -0.611
local terms energy: -255.261065
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -55.363
flat angles P-C4'-P energy: -30.982
tors. eta vs tors. theta energy: -75.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -758.241699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.241699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.241699 (E_RNA)
where:
Base-Base interactions energy: -521.086
where: short stacking energy: -245.121
Base-Backbone interact. energy: -0.404
local terms energy: -236.751811
where:
bonds (distance) C4'-P energy: -42.348
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -28.242
tors. eta vs tors. theta energy: -68.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -735.873563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.873563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.873563 (E_RNA)
where:
Base-Base interactions energy: -503.301
where: short stacking energy: -215.452
Base-Backbone interact. energy: -3.171
local terms energy: -229.400898
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -63.271
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: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -658.174019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.174019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.174019 (E_RNA)
where:
Base-Base interactions energy: -444.039
where: short stacking energy: -189.925
Base-Backbone interact. energy: -0.482
local terms energy: -213.653234
where:
bonds (distance) C4'-P energy: -43.827
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -50.329
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -53.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -406.947263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.947263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.947263 (E_RNA)
where:
Base-Base interactions energy: -236.106
where: short stacking energy: -128.007
Base-Backbone interact. energy: 2.002
local terms energy: -172.843044
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -44.828
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -225.670294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.670294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.670294 (E_RNA)
where:
Base-Base interactions energy: -76.669
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.660
local terms energy: -148.342027
where:
bonds (distance) C4'-P energy: -42.499
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -44.841
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: 5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -966.384336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.384336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.384336 (E_RNA)
where:
Base-Base interactions energy: -670.221
where: short stacking energy: -285.216
Base-Backbone interact. energy: 1.058
local terms energy: -297.221447
where:
bonds (distance) C4'-P energy: -52.658
bonds (distance) P-C4' energy: -54.523
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: -91.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -951.905676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.905676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.905676 (E_RNA)
where:
Base-Base interactions energy: -655.111
where: short stacking energy: -290.520
Base-Backbone interact. energy: -1.358
local terms energy: -295.436944
where:
bonds (distance) C4'-P energy: -49.317
bonds (distance) P-C4' energy: -48.118
flat angles C4'-P-C4' energy: -61.338
flat angles P-C4'-P energy: -46.653
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: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -870.181314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.181314 (E_RNA)
where:
Base-Base interactions energy: -593.318
where: short stacking energy: -259.600
Base-Backbone interact. energy: -1.029
local terms energy: -275.834550
where:
bonds (distance) C4'-P energy: -39.403
bonds (distance) P-C4' energy: -51.898
flat angles C4'-P-C4' energy: -62.318
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -80.618
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: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -851.822648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.822648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.822648 (E_RNA)
where:
Base-Base interactions energy: -580.912
where: short stacking energy: -246.824
Base-Backbone interact. energy: -0.892
local terms energy: -270.018898
where:
bonds (distance) C4'-P energy: -51.359
bonds (distance) P-C4' energy: -49.326
flat angles C4'-P-C4' energy: -53.459
flat angles P-C4'-P energy: -36.903
tors. eta vs tors. theta energy: -78.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -827.998932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.998932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.998932 (E_RNA)
where:
Base-Base interactions energy: -578.232
where: short stacking energy: -254.923
Base-Backbone interact. energy: -1.422
local terms energy: -248.345446
where:
bonds (distance) C4'-P energy: -46.787
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -70.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -780.441690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.441690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.441690 (E_RNA)
where:
Base-Base interactions energy: -517.536
where: short stacking energy: -234.696
Base-Backbone interact. energy: -0.723
local terms energy: -262.182540
where:
bonds (distance) C4'-P energy: -51.140
bonds (distance) P-C4' energy: -56.927
flat angles C4'-P-C4' energy: -50.889
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -66.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -736.409445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.409445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.409445 (E_RNA)
where:
Base-Base interactions energy: -506.898
where: short stacking energy: -222.631
Base-Backbone interact. energy: -0.360
local terms energy: -229.151826
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -53.249
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -53.511
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: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -661.367376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.367376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.367376 (E_RNA)
where:
Base-Base interactions energy: -438.968
where: short stacking energy: -200.369
Base-Backbone interact. energy: -0.178
local terms energy: -222.221689
where:
bonds (distance) C4'-P energy: -41.059
bonds (distance) P-C4' energy: -50.654
flat angles C4'-P-C4' energy: -52.827
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -50.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -464.945471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.945471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.945471 (E_RNA)
where:
Base-Base interactions energy: -254.530
where: short stacking energy: -123.209
Base-Backbone interact. energy: -0.297
local terms energy: -210.118448
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -44.619
flat angles C4'-P-C4' energy: -55.036
flat angles P-C4'-P energy: -30.664
tors. eta vs tors. theta energy: -27.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -225.935871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.935871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.935871 (E_RNA)
where:
Base-Base interactions energy: -89.169
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.475
local terms energy: -136.291719
where:
bonds (distance) C4'-P energy: -52.164
bonds (distance) P-C4' energy: -40.823
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: 5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -971.459593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.459593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.459593 (E_RNA)
where:
Base-Base interactions energy: -673.179
where: short stacking energy: -285.083
Base-Backbone interact. energy: -0.812
local terms energy: -297.468084
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -49.785
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -40.985
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: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -946.069289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.069289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.069289 (E_RNA)
where:
Base-Base interactions energy: -651.961
where: short stacking energy: -281.284
Base-Backbone interact. energy: -0.860
local terms energy: -293.249217
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -54.677
flat angles C4'-P-C4' energy: -57.428
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -84.107
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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -852.144784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.144784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.144784 (E_RNA)
where:
Base-Base interactions energy: -577.173
where: short stacking energy: -238.874
Base-Backbone interact. energy: 1.119
local terms energy: -276.090780
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -38.052
tors. eta vs tors. theta energy: -79.241
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: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -844.433723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.433723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.433723 (E_RNA)
where:
Base-Base interactions energy: -576.950
where: short stacking energy: -251.948
Base-Backbone interact. energy: -0.348
local terms energy: -267.135532
where:
bonds (distance) C4'-P energy: -51.775
bonds (distance) P-C4' energy: -47.901
flat angles C4'-P-C4' energy: -61.900
flat angles P-C4'-P energy: -32.197
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: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -831.112433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.112433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.112433 (E_RNA)
where:
Base-Base interactions energy: -565.689
where: short stacking energy: -245.130
Base-Backbone interact. energy: -1.152
local terms energy: -264.271472
where:
bonds (distance) C4'-P energy: -45.099
bonds (distance) P-C4' energy: -53.545
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -71.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -769.538809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.538809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.538809 (E_RNA)
where:
Base-Base interactions energy: -521.068
where: short stacking energy: -230.030
Base-Backbone interact. energy: -0.781
local terms energy: -247.689767
where:
bonds (distance) C4'-P energy: -47.618
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -57.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -737.707871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.707871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.707871 (E_RNA)
where:
Base-Base interactions energy: -506.260
where: short stacking energy: -202.161
Base-Backbone interact. energy: -2.131
local terms energy: -229.317294
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -41.682
tors. eta vs tors. theta energy: -54.497
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -631.928798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.928798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.928798 (E_RNA)
where:
Base-Base interactions energy: -427.079
where: short stacking energy: -171.255
Base-Backbone interact. energy: -0.424
local terms energy: -204.426407
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -32.966
tors. eta vs tors. theta energy: -36.445
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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -453.997475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.997475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.997475 (E_RNA)
where:
Base-Base interactions energy: -263.283
where: short stacking energy: -126.657
Base-Backbone interact. energy: -0.848
local terms energy: -189.865776
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -233.639483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.639483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.639483 (E_RNA)
where:
Base-Base interactions energy: -87.971
where: short stacking energy: -76.992
Base-Backbone interact. energy: 1.348
local terms energy: -147.016652
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -18.789
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: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -971.625118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.625118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.625118 (E_RNA)
where:
Base-Base interactions energy: -669.044
where: short stacking energy: -309.451
Base-Backbone interact. energy: -1.093
local terms energy: -301.487835
where:
bonds (distance) C4'-P energy: -37.920
bonds (distance) P-C4' energy: -61.189
flat angles C4'-P-C4' energy: -66.226
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -93.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -964.710057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.710057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.710057 (E_RNA)
where:
Base-Base interactions energy: -671.762
where: short stacking energy: -299.033
Base-Backbone interact. energy: -0.271
local terms energy: -292.677866
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -64.231
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -90.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -868.214381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.214381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.214381 (E_RNA)
where:
Base-Base interactions energy: -590.165
where: short stacking energy: -245.619
Base-Backbone interact. energy: 1.510
local terms energy: -279.559485
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -59.049
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -73.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -841.019804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.019804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.019804 (E_RNA)
where:
Base-Base interactions energy: -588.560
where: short stacking energy: -258.740
Base-Backbone interact. energy: 0.653
local terms energy: -253.113495
where:
bonds (distance) C4'-P energy: -43.309
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -53.194
flat angles P-C4'-P energy: -32.315
tors. eta vs tors. theta energy: -67.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -843.654434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.654434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.654434 (E_RNA)
where:
Base-Base interactions energy: -584.963
where: short stacking energy: -252.753
Base-Backbone interact. energy: -1.053
local terms energy: -257.638672
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -43.508
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -37.173
tors. eta vs tors. theta energy: -73.083
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: 350
Temperature: 1.150000
Total energy: -769.991357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.991357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.991357 (E_RNA)
where:
Base-Base interactions energy: -522.290
where: short stacking energy: -230.761
Base-Backbone interact. energy: 0.989
local terms energy: -248.690364
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -51.873
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -68.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -736.060644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.060644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.060644 (E_RNA)
where:
Base-Base interactions energy: -508.664
where: short stacking energy: -220.990
Base-Backbone interact. energy: -0.266
local terms energy: -227.130605
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -47.829
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -60.259
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: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -725.186067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.186067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.186067 (E_RNA)
where:
Base-Base interactions energy: -513.548
where: short stacking energy: -214.442
Base-Backbone interact. energy: 0.309
local terms energy: -211.946561
where:
bonds (distance) C4'-P energy: -48.033
bonds (distance) P-C4' energy: -43.286
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -58.889
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: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -453.258159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.258159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.258159 (E_RNA)
where:
Base-Base interactions energy: -256.263
where: short stacking energy: -134.770
Base-Backbone interact. energy: 0.016
local terms energy: -197.011064
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -49.604
flat angles C4'-P-C4' energy: -40.673
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: -29.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -216.472168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.472168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.472168 (E_RNA)
where:
Base-Base interactions energy: -73.249
where: short stacking energy: -60.805
Base-Backbone interact. energy: -1.967
local terms energy: -141.256139
where:
bonds (distance) C4'-P energy: -39.986
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: 13.071
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: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -966.345663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.345663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.345663 (E_RNA)
where:
Base-Base interactions energy: -669.526
where: short stacking energy: -301.789
Base-Backbone interact. energy: -0.538
local terms energy: -296.281807
where:
bonds (distance) C4'-P energy: -49.860
bonds (distance) P-C4' energy: -50.724
flat angles C4'-P-C4' energy: -59.995
flat angles P-C4'-P energy: -41.463
tors. eta vs tors. theta energy: -94.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -945.006340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.006340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.006340 (E_RNA)
where:
Base-Base interactions energy: -651.881
where: short stacking energy: -270.423
Base-Backbone interact. energy: -0.080
local terms energy: -293.045489
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -86.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -886.709415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.709415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.709415 (E_RNA)
where:
Base-Base interactions energy: -604.303
where: short stacking energy: -261.462
Base-Backbone interact. energy: -0.260
local terms energy: -282.146660
where:
bonds (distance) C4'-P energy: -52.208
bonds (distance) P-C4' energy: -56.525
flat angles C4'-P-C4' energy: -56.735
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -77.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -880.409554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.409554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.409554 (E_RNA)
where:
Base-Base interactions energy: -597.424
where: short stacking energy: -266.924
Base-Backbone interact. energy: -1.007
local terms energy: -281.978336
where:
bonds (distance) C4'-P energy: -48.863
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -64.664
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -81.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -854.528817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.528817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.528817 (E_RNA)
where:
Base-Base interactions energy: -590.607
where: short stacking energy: -244.123
Base-Backbone interact. energy: -1.448
local terms energy: -262.473689
where:
bonds (distance) C4'-P energy: -43.970
bonds (distance) P-C4' energy: -43.523
flat angles C4'-P-C4' energy: -56.830
flat angles P-C4'-P energy: -39.377
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: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -775.651627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.651627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.651627 (E_RNA)
where:
Base-Base interactions energy: -521.362
where: short stacking energy: -235.499
Base-Backbone interact. energy: -0.364
local terms energy: -253.925420
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -49.826
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -57.762
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: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -760.006416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.006416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.006416 (E_RNA)
where:
Base-Base interactions energy: -512.355
where: short stacking energy: -213.989
Base-Backbone interact. energy: 2.175
local terms energy: -249.826981
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -60.117
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -60.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -721.068566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.068566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.068566 (E_RNA)
where:
Base-Base interactions energy: -498.997
where: short stacking energy: -213.350
Base-Backbone interact. energy: -1.399
local terms energy: -220.672506
where:
bonds (distance) C4'-P energy: -40.233
bonds (distance) P-C4' energy: -37.796
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -36.924
tors. eta vs tors. theta energy: -57.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -430.734907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.734907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.734907 (E_RNA)
where:
Base-Base interactions energy: -245.020
where: short stacking energy: -126.017
Base-Backbone interact. energy: -0.664
local terms energy: -185.050938
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -32.059
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -22.168
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: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -234.546717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.546717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.546717 (E_RNA)
where:
Base-Base interactions energy: -92.647
where: short stacking energy: -85.856
Base-Backbone interact. energy: -1.376
local terms energy: -140.524454
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -38.483
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -943.196976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.196976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.196976 (E_RNA)
where:
Base-Base interactions energy: -647.540
where: short stacking energy: -275.237
Base-Backbone interact. energy: -1.233
local terms energy: -294.423666
where:
bonds (distance) C4'-P energy: -54.706
bonds (distance) P-C4' energy: -57.173
flat angles C4'-P-C4' energy: -54.349
flat angles P-C4'-P energy: -42.860
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: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -938.856965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.856965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.856965 (E_RNA)
where:
Base-Base interactions energy: -655.183
where: short stacking energy: -290.796
Base-Backbone interact. energy: -1.907
local terms energy: -281.766699
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -52.429
flat angles C4'-P-C4' energy: -57.516
flat angles P-C4'-P energy: -42.167
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: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -895.740320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.740320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.740320 (E_RNA)
where:
Base-Base interactions energy: -618.110
where: short stacking energy: -255.951
Base-Backbone interact. energy: 0.167
local terms energy: -277.797643
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -54.503
flat angles C4'-P-C4' energy: -60.582
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -78.438
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -851.883349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.883349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.883349 (E_RNA)
where:
Base-Base interactions energy: -588.269
where: short stacking energy: -254.515
Base-Backbone interact. energy: -0.887
local terms energy: -262.726722
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -43.174
flat angles C4'-P-C4' energy: -59.039
flat angles P-C4'-P energy: -38.299
tors. eta vs tors. theta energy: -74.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -841.570351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.570351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.570351 (E_RNA)
where:
Base-Base interactions energy: -577.982
where: short stacking energy: -232.793
Base-Backbone interact. energy: 1.610
local terms energy: -265.198052
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -53.302
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -59.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -781.194092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.194092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.194092 (E_RNA)
where:
Base-Base interactions energy: -542.252
where: short stacking energy: -232.638
Base-Backbone interact. energy: -1.146
local terms energy: -237.795743
where:
bonds (distance) C4'-P energy: -39.197
bonds (distance) P-C4' energy: -51.041
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -57.146
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: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -754.810737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.810737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.810737 (E_RNA)
where:
Base-Base interactions energy: -516.252
where: short stacking energy: -207.405
Base-Backbone interact. energy: -1.122
local terms energy: -237.436883
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -48.580
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -62.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -734.157805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.157805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.157805 (E_RNA)
where:
Base-Base interactions energy: -501.258
where: short stacking energy: -213.128
Base-Backbone interact. energy: -0.542
local terms energy: -232.356836
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -38.181
flat angles C4'-P-C4' energy: -54.535
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -57.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -421.178416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.178416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.178416 (E_RNA)
where:
Base-Base interactions energy: -235.546
where: short stacking energy: -120.767
Base-Backbone interact. energy: -0.757
local terms energy: -184.875521
where:
bonds (distance) C4'-P energy: -50.132
bonds (distance) P-C4' energy: -49.195
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -26.857
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -214.428745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.428745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.428745 (E_RNA)
where:
Base-Base interactions energy: -61.753
where: short stacking energy: -55.717
Base-Backbone interact. energy: 1.076
local terms energy: -153.751857
where:
bonds (distance) C4'-P energy: -37.786
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -44.207
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: 3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -968.318632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.318632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.318632 (E_RNA)
where:
Base-Base interactions energy: -669.622
where: short stacking energy: -283.996
Base-Backbone interact. energy: -0.478
local terms energy: -298.219583
where:
bonds (distance) C4'-P energy: -53.702
bonds (distance) P-C4' energy: -52.699
flat angles C4'-P-C4' energy: -63.936
flat angles P-C4'-P energy: -38.823
tors. eta vs tors. theta energy: -89.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -931.042502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.042502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.042502 (E_RNA)
where:
Base-Base interactions energy: -645.844
where: short stacking energy: -280.441
Base-Backbone interact. energy: -0.787
local terms energy: -284.411877
where:
bonds (distance) C4'-P energy: -47.121
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -79.614
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: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -905.897718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.897718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.897718 (E_RNA)
where:
Base-Base interactions energy: -616.567
where: short stacking energy: -277.582
Base-Backbone interact. energy: -1.066
local terms energy: -288.264320
where:
bonds (distance) C4'-P energy: -47.488
bonds (distance) P-C4' energy: -53.912
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -45.061
tors. eta vs tors. theta energy: -85.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -874.760115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.760115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.760115 (E_RNA)
where:
Base-Base interactions energy: -577.967
where: short stacking energy: -249.289
Base-Backbone interact. energy: -0.817
local terms energy: -295.975970
where:
bonds (distance) C4'-P energy: -61.972
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -63.117
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -73.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -827.743193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.743193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.743193 (E_RNA)
where:
Base-Base interactions energy: -569.877
where: short stacking energy: -245.555
Base-Backbone interact. energy: -0.353
local terms energy: -257.513953
where:
bonds (distance) C4'-P energy: -50.405
bonds (distance) P-C4' energy: -43.561
flat angles C4'-P-C4' energy: -54.372
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -73.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -760.396204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.396204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.396204 (E_RNA)
where:
Base-Base interactions energy: -532.936
where: short stacking energy: -226.596
Base-Backbone interact. energy: -0.132
local terms energy: -227.328348
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -53.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -752.941463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.941463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.941463 (E_RNA)
where:
Base-Base interactions energy: -514.867
where: short stacking energy: -213.798
Base-Backbone interact. energy: -0.661
local terms energy: -237.413231
where:
bonds (distance) C4'-P energy: -46.191
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -53.326
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -55.627
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: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -716.073651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.073651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.073651 (E_RNA)
where:
Base-Base interactions energy: -512.372
where: short stacking energy: -207.793
Base-Backbone interact. energy: -0.748
local terms energy: -202.952968
where:
bonds (distance) C4'-P energy: -41.374
bonds (distance) P-C4' energy: -46.263
flat angles C4'-P-C4' energy: -40.797
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -47.785
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: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -411.730159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.730159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.730159 (E_RNA)
where:
Base-Base interactions energy: -226.020
where: short stacking energy: -97.510
Base-Backbone interact. energy: -1.179
local terms energy: -184.531402
where:
bonds (distance) C4'-P energy: -39.900
bonds (distance) P-C4' energy: -48.654
flat angles C4'-P-C4' energy: -46.757
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -249.686871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.686871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.686871 (E_RNA)
where:
Base-Base interactions energy: -108.896
where: short stacking energy: -106.236
Base-Backbone interact. energy: 0.867
local terms energy: -141.658007
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -46.819
flat angles C4'-P-C4' energy: -37.604
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -955.812295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.812295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.812295 (E_RNA)
where:
Base-Base interactions energy: -644.466
where: short stacking energy: -266.305
Base-Backbone interact. energy: 0.048
local terms energy: -311.394624
where:
bonds (distance) C4'-P energy: -60.515
bonds (distance) P-C4' energy: -59.764
flat angles C4'-P-C4' energy: -56.314
flat angles P-C4'-P energy: -44.561
tors. eta vs tors. theta energy: -90.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -948.587669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.587669 (E_RNA)
where:
Base-Base interactions energy: -654.113
where: short stacking energy: -291.157
Base-Backbone interact. energy: -1.233
local terms energy: -293.241600
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -52.326
flat angles C4'-P-C4' energy: -63.494
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -87.893
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: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -886.479672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.479672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.479672 (E_RNA)
where:
Base-Base interactions energy: -613.132
where: short stacking energy: -276.411
Base-Backbone interact. energy: 0.502
local terms energy: -273.849602
where:
bonds (distance) C4'-P energy: -40.553
bonds (distance) P-C4' energy: -50.879
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -80.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -871.487578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.487578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.487578 (E_RNA)
where:
Base-Base interactions energy: -595.950
where: short stacking energy: -258.434
Base-Backbone interact. energy: -0.744
local terms energy: -274.793906
where:
bonds (distance) C4'-P energy: -46.770
bonds (distance) P-C4' energy: -46.165
flat angles C4'-P-C4' energy: -62.120
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: -78.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -788.673649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.673649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.673649 (E_RNA)
where:
Base-Base interactions energy: -551.245
where: short stacking energy: -224.222
Base-Backbone interact. energy: -1.935
local terms energy: -235.493489
where:
bonds (distance) C4'-P energy: -37.103
bonds (distance) P-C4' energy: -42.456
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -38.559
tors. eta vs tors. theta energy: -66.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -765.771199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.771199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.771199 (E_RNA)
where:
Base-Base interactions energy: -518.101
where: short stacking energy: -204.577
Base-Backbone interact. energy: -0.451
local terms energy: -247.219889
where:
bonds (distance) C4'-P energy: -49.531
bonds (distance) P-C4' energy: -61.705
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -34.295
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: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -722.651888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.651888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.651888 (E_RNA)
where:
Base-Base interactions energy: -494.503
where: short stacking energy: -206.836
Base-Backbone interact. energy: -0.829
local terms energy: -227.319808
where:
bonds (distance) C4'-P energy: -42.843
bonds (distance) P-C4' energy: -41.808
flat angles C4'-P-C4' energy: -55.832
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: -56.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -723.784539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.784539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.784539 (E_RNA)
where:
Base-Base interactions energy: -492.403
where: short stacking energy: -203.872
Base-Backbone interact. energy: -0.635
local terms energy: -230.746284
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -52.778
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -46.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -440.634300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.634300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.634300 (E_RNA)
where:
Base-Base interactions energy: -256.306
where: short stacking energy: -125.084
Base-Backbone interact. energy: -1.034
local terms energy: -183.294314
where:
bonds (distance) C4'-P energy: -48.972
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -41.426
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -28.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -284.262825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.262825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.262825 (E_RNA)
where:
Base-Base interactions energy: -134.150
where: short stacking energy: -84.582
Base-Backbone interact. energy: -1.184
local terms energy: -148.928179
where:
bonds (distance) C4'-P energy: -38.867
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -33.880
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -957.564941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.564941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.564941 (E_RNA)
where:
Base-Base interactions energy: -652.307
where: short stacking energy: -284.768
Base-Backbone interact. energy: -0.459
local terms energy: -304.799050
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -55.257
flat angles C4'-P-C4' energy: -65.054
flat angles P-C4'-P energy: -37.751
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: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -944.573337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.573337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.573337 (E_RNA)
where:
Base-Base interactions energy: -644.505
where: short stacking energy: -291.454
Base-Backbone interact. energy: -0.730
local terms energy: -299.338563
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -54.472
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -45.081
tors. eta vs tors. theta energy: -86.789
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: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -869.936078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.936078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.936078 (E_RNA)
where:
Base-Base interactions energy: -591.860
where: short stacking energy: -257.455
Base-Backbone interact. energy: -0.332
local terms energy: -277.743871
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -35.481
tors. eta vs tors. theta energy: -76.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -852.852177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.852177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.852177 (E_RNA)
where:
Base-Base interactions energy: -577.625
where: short stacking energy: -252.100
Base-Backbone interact. energy: -0.281
local terms energy: -274.946551
where:
bonds (distance) C4'-P energy: -51.627
bonds (distance) P-C4' energy: -47.560
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -72.676
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: 355
Temperature: 1.100000
Total energy: -789.882074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.882074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.882074 (E_RNA)
where:
Base-Base interactions energy: -544.538
where: short stacking energy: -231.481
Base-Backbone interact. energy: -0.424
local terms energy: -244.919742
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -54.382
flat angles P-C4'-P energy: -42.289
tors. eta vs tors. theta energy: -62.318
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: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -772.132289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.132289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.132289 (E_RNA)
where:
Base-Base interactions energy: -539.664
where: short stacking energy: -214.819
Base-Backbone interact. energy: -0.163
local terms energy: -232.305179
where:
bonds (distance) C4'-P energy: -44.279
bonds (distance) P-C4' energy: -38.952
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -53.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -718.330023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.330023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.330023 (E_RNA)
where:
Base-Base interactions energy: -496.807
where: short stacking energy: -215.863
Base-Backbone interact. energy: 0.899
local terms energy: -222.422281
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -53.311
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -51.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -699.068558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.068558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.068558 (E_RNA)
where:
Base-Base interactions energy: -491.973
where: short stacking energy: -205.656
Base-Backbone interact. energy: -1.169
local terms energy: -205.925986
where:
bonds (distance) C4'-P energy: -30.774
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -53.297
flat angles P-C4'-P energy: -28.756
tors. eta vs tors. theta energy: -42.545
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: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -417.999277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.999277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.999277 (E_RNA)
where:
Base-Base interactions energy: -223.701
where: short stacking energy: -108.811
Base-Backbone interact. energy: 0.614
local terms energy: -194.911449
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -57.654
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -291.792654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.792654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.792654 (E_RNA)
where:
Base-Base interactions energy: -129.972
where: short stacking energy: -82.986
Base-Backbone interact. energy: 2.189
local terms energy: -164.009639
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -48.911
flat angles P-C4'-P energy: -31.333
tors. eta vs tors. theta energy: 2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -958.015358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.015358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.015358 (E_RNA)
where:
Base-Base interactions energy: -662.281
where: short stacking energy: -282.191
Base-Backbone interact. energy: -0.171
local terms energy: -295.563770
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -64.266
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -82.709
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: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -939.808486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.808486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.808486 (E_RNA)
where:
Base-Base interactions energy: -652.116
where: short stacking energy: -281.482
Base-Backbone interact. energy: -1.397
local terms energy: -286.295560
where:
bonds (distance) C4'-P energy: -50.006
bonds (distance) P-C4' energy: -60.085
flat angles C4'-P-C4' energy: -60.554
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -85.781
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: 356
Temperature: 1.000000
Total energy: -861.542484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.542484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.542484 (E_RNA)
where:
Base-Base interactions energy: -582.627
where: short stacking energy: -265.260
Base-Backbone interact. energy: -0.966
local terms energy: -277.948586
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -42.878
tors. eta vs tors. theta energy: -75.874
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: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -843.426548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.426548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.426548 (E_RNA)
where:
Base-Base interactions energy: -576.564
where: short stacking energy: -254.516
Base-Backbone interact. energy: -0.343
local terms energy: -266.519604
where:
bonds (distance) C4'-P energy: -50.082
bonds (distance) P-C4' energy: -49.076
flat angles C4'-P-C4' energy: -52.139
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -76.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -827.472109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.472109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.472109 (E_RNA)
where:
Base-Base interactions energy: -567.393
where: short stacking energy: -253.887
Base-Backbone interact. energy: -0.331
local terms energy: -259.748765
where:
bonds (distance) C4'-P energy: -54.116
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -49.446
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -72.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -787.050668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.050668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.050668 (E_RNA)
where:
Base-Base interactions energy: -522.331
where: short stacking energy: -224.443
Base-Backbone interact. energy: -1.103
local terms energy: -263.616284
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -59.368
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -70.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -736.909826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.909826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.909826 (E_RNA)
where:
Base-Base interactions energy: -510.949
where: short stacking energy: -218.886
Base-Backbone interact. energy: 1.020
local terms energy: -226.981255
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -52.749
flat angles P-C4'-P energy: -32.319
tors. eta vs tors. theta energy: -59.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -707.973434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.973434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.973434 (E_RNA)
where:
Base-Base interactions energy: -499.588
where: short stacking energy: -199.086
Base-Backbone interact. energy: -0.961
local terms energy: -207.424006
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -39.959
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -59.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -429.153940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.153940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.153940 (E_RNA)
where:
Base-Base interactions energy: -254.759
where: short stacking energy: -128.778
Base-Backbone interact. energy: 2.669
local terms energy: -177.063975
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -44.550
flat angles C4'-P-C4' energy: -46.701
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -23.402
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: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -336.549676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.549676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.549676 (E_RNA)
where:
Base-Base interactions energy: -174.440
where: short stacking energy: -88.768
Base-Backbone interact. energy: 5.123
local terms energy: -167.232062
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -46.721
flat angles C4'-P-C4' energy: -46.640
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -0.814
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -950.865315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.865315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.865315 (E_RNA)
where:
Base-Base interactions energy: -656.436
where: short stacking energy: -281.584
Base-Backbone interact. energy: -1.289
local terms energy: -293.139627
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -65.472
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -82.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -945.356818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.356818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.356818 (E_RNA)
where:
Base-Base interactions energy: -668.796
where: short stacking energy: -293.151
Base-Backbone interact. energy: -0.781
local terms energy: -275.780317
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -58.214
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -82.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -874.349644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.349644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.349644 (E_RNA)
where:
Base-Base interactions energy: -595.951
where: short stacking energy: -265.135
Base-Backbone interact. energy: -0.886
local terms energy: -277.512885
where:
bonds (distance) C4'-P energy: -52.165
bonds (distance) P-C4' energy: -44.769
flat angles C4'-P-C4' energy: -62.932
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -79.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -846.591725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.591725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.591725 (E_RNA)
where:
Base-Base interactions energy: -578.258
where: short stacking energy: -252.723
Base-Backbone interact. energy: -0.512
local terms energy: -267.822399
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -62.202
flat angles P-C4'-P energy: -44.100
tors. eta vs tors. theta energy: -68.403
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: 357
Temperature: 1.100000
Total energy: -802.579154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.579154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.579154 (E_RNA)
where:
Base-Base interactions energy: -552.300
where: short stacking energy: -236.141
Base-Backbone interact. energy: -0.476
local terms energy: -249.802592
where:
bonds (distance) C4'-P energy: -44.722
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -59.556
flat angles P-C4'-P energy: -38.365
tors. eta vs tors. theta energy: -62.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -770.046672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.046672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.046672 (E_RNA)
where:
Base-Base interactions energy: -538.918
where: short stacking energy: -230.464
Base-Backbone interact. energy: -0.246
local terms energy: -230.882777
where:
bonds (distance) C4'-P energy: -47.135
bonds (distance) P-C4' energy: -40.861
flat angles C4'-P-C4' energy: -48.374
flat angles P-C4'-P energy: -34.133
tors. eta vs tors. theta energy: -60.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -731.402012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.402012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.402012 (E_RNA)
where:
Base-Base interactions energy: -514.825
where: short stacking energy: -214.914
Base-Backbone interact. energy: -0.695
local terms energy: -215.882671
where:
bonds (distance) C4'-P energy: -43.226
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -42.504
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -60.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -710.791755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.791755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.791755 (E_RNA)
where:
Base-Base interactions energy: -483.215
where: short stacking energy: -211.381
Base-Backbone interact. energy: -1.047
local terms energy: -226.529864
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -51.316
flat angles C4'-P-C4' energy: -55.922
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -52.500
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: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -414.830691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.830691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.830691 (E_RNA)
where:
Base-Base interactions energy: -234.706
where: short stacking energy: -132.167
Base-Backbone interact. energy: 1.997
local terms energy: -182.121861
where:
bonds (distance) C4'-P energy: -43.161
bonds (distance) P-C4' energy: -51.450
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -18.268
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: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -377.095621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.095621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.095621 (E_RNA)
where:
Base-Base interactions energy: -203.839
where: short stacking energy: -91.380
Base-Backbone interact. energy: -1.082
local terms energy: -172.174728
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -45.166
flat angles C4'-P-C4' energy: -47.968
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -961.822411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.822411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.822411 (E_RNA)
where:
Base-Base interactions energy: -671.972
where: short stacking energy: -293.871
Base-Backbone interact. energy: 0.073
local terms energy: -289.922767
where:
bonds (distance) C4'-P energy: -50.775
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -54.947
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -83.066
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: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -934.534453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.534453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.534453 (E_RNA)
where:
Base-Base interactions energy: -649.415
where: short stacking energy: -265.802
Base-Backbone interact. energy: -3.063
local terms energy: -282.056858
where:
bonds (distance) C4'-P energy: -50.120
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -42.387
tors. eta vs tors. theta energy: -80.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -871.669902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.669902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.669902 (E_RNA)
where:
Base-Base interactions energy: -588.767
where: short stacking energy: -266.288
Base-Backbone interact. energy: 0.084
local terms energy: -282.986944
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -44.727
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -76.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -832.406908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.406908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.406908 (E_RNA)
where:
Base-Base interactions energy: -575.383
where: short stacking energy: -247.401
Base-Backbone interact. energy: -0.751
local terms energy: -256.272628
where:
bonds (distance) C4'-P energy: -53.332
bonds (distance) P-C4' energy: -43.262
flat angles C4'-P-C4' energy: -52.947
flat angles P-C4'-P energy: -39.433
tors. eta vs tors. theta energy: -67.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -804.724284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.724284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.724284 (E_RNA)
where:
Base-Base interactions energy: -529.114
where: short stacking energy: -239.889
Base-Backbone interact. energy: -0.595
local terms energy: -275.015508
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -59.788
flat angles P-C4'-P energy: -38.244
tors. eta vs tors. theta energy: -68.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -773.694558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.694558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.694558 (E_RNA)
where:
Base-Base interactions energy: -512.334
where: short stacking energy: -213.896
Base-Backbone interact. energy: -0.265
local terms energy: -261.096336
where:
bonds (distance) C4'-P energy: -50.213
bonds (distance) P-C4' energy: -60.079
flat angles C4'-P-C4' energy: -55.034
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -58.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -747.038463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.038463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.038463 (E_RNA)
where:
Base-Base interactions energy: -513.269
where: short stacking energy: -213.897
Base-Backbone interact. energy: -1.120
local terms energy: -232.649471
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -50.765
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -60.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -727.577153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.577153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.577153 (E_RNA)
where:
Base-Base interactions energy: -478.512
where: short stacking energy: -202.208
Base-Backbone interact. energy: -0.288
local terms energy: -248.776762
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -56.953
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -60.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -405.891335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.891335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.891335 (E_RNA)
where:
Base-Base interactions energy: -226.311
where: short stacking energy: -106.769
Base-Backbone interact. energy: -0.322
local terms energy: -179.258368
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -54.615
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -17.411
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: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -356.567111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.567111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.567111 (E_RNA)
where:
Base-Base interactions energy: -202.037
where: short stacking energy: -105.631
Base-Backbone interact. energy: -0.866
local terms energy: -153.664026
where:
bonds (distance) C4'-P energy: -42.790
bonds (distance) P-C4' energy: -30.902
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -16.050
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: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -957.862838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.862838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.862838 (E_RNA)
where:
Base-Base interactions energy: -659.359
where: short stacking energy: -276.382
Base-Backbone interact. energy: 1.061
local terms energy: -299.564931
where:
bonds (distance) C4'-P energy: -50.342
bonds (distance) P-C4' energy: -56.087
flat angles C4'-P-C4' energy: -61.033
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: -85.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -933.129416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.129416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.129416 (E_RNA)
where:
Base-Base interactions energy: -644.988
where: short stacking energy: -274.671
Base-Backbone interact. energy: -0.195
local terms energy: -287.946663
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -42.636
flat angles C4'-P-C4' energy: -60.626
flat angles P-C4'-P energy: -42.396
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -865.568285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.568285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.568285 (E_RNA)
where:
Base-Base interactions energy: -593.817
where: short stacking energy: -254.780
Base-Backbone interact. energy: -0.275
local terms energy: -271.476433
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -54.745
flat angles P-C4'-P energy: -37.869
tors. eta vs tors. theta energy: -76.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -858.254104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.254104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.254104 (E_RNA)
where:
Base-Base interactions energy: -576.106
where: short stacking energy: -263.418
Base-Backbone interact. energy: -0.470
local terms energy: -281.677953
where:
bonds (distance) C4'-P energy: -45.223
bonds (distance) P-C4' energy: -58.813
flat angles C4'-P-C4' energy: -60.057
flat angles P-C4'-P energy: -42.101
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: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -812.029066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.029066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.029066 (E_RNA)
where:
Base-Base interactions energy: -558.470
where: short stacking energy: -235.085
Base-Backbone interact. energy: -0.970
local terms energy: -252.588864
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -50.314
flat angles C4'-P-C4' energy: -58.868
flat angles P-C4'-P energy: -37.159
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: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -759.455596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.455596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.455596 (E_RNA)
where:
Base-Base interactions energy: -518.920
where: short stacking energy: -227.709
Base-Backbone interact. energy: 0.049
local terms energy: -240.584724
where:
bonds (distance) C4'-P energy: -48.982
bonds (distance) P-C4' energy: -48.821
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -60.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -751.394146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.394146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.394146 (E_RNA)
where:
Base-Base interactions energy: -509.288
where: short stacking energy: -220.929
Base-Backbone interact. energy: -1.101
local terms energy: -241.004792
where:
bonds (distance) C4'-P energy: -48.718
bonds (distance) P-C4' energy: -45.235
flat angles C4'-P-C4' energy: -45.098
flat angles P-C4'-P energy: -40.564
tors. eta vs tors. theta energy: -61.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -703.929096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.929096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.929096 (E_RNA)
where:
Base-Base interactions energy: -478.364
where: short stacking energy: -204.451
Base-Backbone interact. energy: -0.983
local terms energy: -224.582153
where:
bonds (distance) C4'-P energy: -48.405
bonds (distance) P-C4' energy: -49.921
flat angles C4'-P-C4' energy: -47.454
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -51.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -409.642149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.642149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.642149 (E_RNA)
where:
Base-Base interactions energy: -249.083
where: short stacking energy: -113.086
Base-Backbone interact. energy: -1.575
local terms energy: -158.984135
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -11.147
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: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -321.167524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.167524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.167524 (E_RNA)
where:
Base-Base interactions energy: -167.187
where: short stacking energy: -99.931
Base-Backbone interact. energy: -1.598
local terms energy: -152.383319
where:
bonds (distance) C4'-P energy: -35.718
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -11.460
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: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -966.462514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.462514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.462514 (E_RNA)
where:
Base-Base interactions energy: -664.391
where: short stacking energy: -286.517
Base-Backbone interact. energy: -0.225
local terms energy: -301.846683
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -63.440
flat angles P-C4'-P energy: -45.143
tors. eta vs tors. theta energy: -87.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -921.438298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.438298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.438298 (E_RNA)
where:
Base-Base interactions energy: -643.750
where: short stacking energy: -270.035
Base-Backbone interact. energy: -1.666
local terms energy: -276.022241
where:
bonds (distance) C4'-P energy: -51.397
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -58.762
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -78.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -861.420285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.420285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.420285 (E_RNA)
where:
Base-Base interactions energy: -577.080
where: short stacking energy: -239.935
Base-Backbone interact. energy: -2.594
local terms energy: -281.746747
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -56.283
flat angles P-C4'-P energy: -49.768
tors. eta vs tors. theta energy: -66.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -827.553847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.553847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.553847 (E_RNA)
where:
Base-Base interactions energy: -568.432
where: short stacking energy: -243.301
Base-Backbone interact. energy: -0.333
local terms energy: -258.788338
where:
bonds (distance) C4'-P energy: -52.852
bonds (distance) P-C4' energy: -52.592
flat angles C4'-P-C4' energy: -52.741
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -67.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -831.269079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.269079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.269079 (E_RNA)
where:
Base-Base interactions energy: -583.510
where: short stacking energy: -248.233
Base-Backbone interact. energy: -0.801
local terms energy: -246.957225
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -71.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -759.978923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.978923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.978923 (E_RNA)
where:
Base-Base interactions energy: -524.385
where: short stacking energy: -225.768
Base-Backbone interact. energy: 0.882
local terms energy: -236.475189
where:
bonds (distance) C4'-P energy: -49.442
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -40.016
tors. eta vs tors. theta energy: -56.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -736.281430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.281430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.281430 (E_RNA)
where:
Base-Base interactions energy: -512.703
where: short stacking energy: -212.714
Base-Backbone interact. energy: -0.337
local terms energy: -223.241952
where:
bonds (distance) C4'-P energy: -39.398
bonds (distance) P-C4' energy: -48.496
flat angles C4'-P-C4' energy: -52.529
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -53.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -734.530157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.530157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.530157 (E_RNA)
where:
Base-Base interactions energy: -499.339
where: short stacking energy: -209.360
Base-Backbone interact. energy: -0.347
local terms energy: -234.843628
where:
bonds (distance) C4'-P energy: -42.411
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -50.207
flat angles P-C4'-P energy: -35.746
tors. eta vs tors. theta energy: -57.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -405.652715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.652715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.652715 (E_RNA)
where:
Base-Base interactions energy: -228.201
where: short stacking energy: -98.159
Base-Backbone interact. energy: -0.650
local terms energy: -176.801639
where:
bonds (distance) C4'-P energy: -49.338
bonds (distance) P-C4' energy: -46.063
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -16.556
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -289.276307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.276307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.276307 (E_RNA)
where:
Base-Base interactions energy: -150.934
where: short stacking energy: -80.960
Base-Backbone interact. energy: -0.948
local terms energy: -137.394575
where:
bonds (distance) C4'-P energy: -47.060
bonds (distance) P-C4' energy: -40.934
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: 12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -965.940612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.940612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.940612 (E_RNA)
where:
Base-Base interactions energy: -667.648
where: short stacking energy: -296.419
Base-Backbone interact. energy: -0.917
local terms energy: -297.376068
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -60.224
flat angles P-C4'-P energy: -41.214
tors. eta vs tors. theta energy: -87.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -934.130812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.130812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.130812 (E_RNA)
where:
Base-Base interactions energy: -641.843
where: short stacking energy: -267.476
Base-Backbone interact. energy: -0.797
local terms energy: -291.490339
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -63.469
flat angles P-C4'-P energy: -36.252
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: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -876.674639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.674639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.674639 (E_RNA)
where:
Base-Base interactions energy: -598.845
where: short stacking energy: -264.493
Base-Backbone interact. energy: -0.593
local terms energy: -277.236271
where:
bonds (distance) C4'-P energy: -46.874
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -59.413
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -76.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -862.077866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.077866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.077866 (E_RNA)
where:
Base-Base interactions energy: -585.076
where: short stacking energy: -252.371
Base-Backbone interact. energy: -0.034
local terms energy: -276.967479
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -60.524
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -74.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -832.473279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.473279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.473279 (E_RNA)
where:
Base-Base interactions energy: -565.411
where: short stacking energy: -247.072
Base-Backbone interact. energy: -0.833
local terms energy: -266.229189
where:
bonds (distance) C4'-P energy: -46.497
bonds (distance) P-C4' energy: -55.966
flat angles C4'-P-C4' energy: -52.327
flat angles P-C4'-P energy: -40.144
tors. eta vs tors. theta energy: -71.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -755.561174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.561174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.561174 (E_RNA)
where:
Base-Base interactions energy: -521.312
where: short stacking energy: -210.034
Base-Backbone interact. energy: 0.372
local terms energy: -234.620738
where:
bonds (distance) C4'-P energy: -43.777
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -44.751
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -59.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -733.400072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.400072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.400072 (E_RNA)
where:
Base-Base interactions energy: -520.910
where: short stacking energy: -199.796
Base-Backbone interact. energy: 0.611
local terms energy: -213.100889
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -44.270
flat angles C4'-P-C4' energy: -42.567
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -46.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -736.732802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.732802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.732802 (E_RNA)
where:
Base-Base interactions energy: -515.780
where: short stacking energy: -191.655
Base-Backbone interact. energy: -1.832
local terms energy: -219.121016
where:
bonds (distance) C4'-P energy: -41.773
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -51.891
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: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -426.245862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.245862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.245862 (E_RNA)
where:
Base-Base interactions energy: -235.329
where: short stacking energy: -115.843
Base-Backbone interact. energy: -1.196
local terms energy: -189.720281
where:
bonds (distance) C4'-P energy: -59.097
bonds (distance) P-C4' energy: -37.210
flat angles C4'-P-C4' energy: -45.017
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -19.072
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: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -282.225115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.225115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.225115 (E_RNA)
where:
Base-Base interactions energy: -130.856
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.540
local terms energy: -150.828724
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -40.629
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -964.424537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.424537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.424537 (E_RNA)
where:
Base-Base interactions energy: -686.325
where: short stacking energy: -286.440
Base-Backbone interact. energy: -2.295
local terms energy: -275.804949
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -51.787
flat angles C4'-P-C4' energy: -55.974
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -81.383
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: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -964.475651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.475651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.475651 (E_RNA)
where:
Base-Base interactions energy: -667.309
where: short stacking energy: -290.240
Base-Backbone interact. energy: -1.526
local terms energy: -295.640787
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -46.341
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -41.066
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: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -856.825694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.825694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.825694 (E_RNA)
where:
Base-Base interactions energy: -578.563
where: short stacking energy: -259.398
Base-Backbone interact. energy: -1.081
local terms energy: -277.181578
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: -71.651
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: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -864.664817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.664817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.664817 (E_RNA)
where:
Base-Base interactions energy: -586.137
where: short stacking energy: -265.201
Base-Backbone interact. energy: -0.945
local terms energy: -277.582080
where:
bonds (distance) C4'-P energy: -50.594
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -63.316
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -78.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -811.957175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.957175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.957175 (E_RNA)
where:
Base-Base interactions energy: -544.155
where: short stacking energy: -240.455
Base-Backbone interact. energy: 0.862
local terms energy: -268.664610
where:
bonds (distance) C4'-P energy: -50.567
bonds (distance) P-C4' energy: -54.710
flat angles C4'-P-C4' energy: -51.307
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: -73.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -764.061815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.061815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.061815 (E_RNA)
where:
Base-Base interactions energy: -525.375
where: short stacking energy: -229.611
Base-Backbone interact. energy: 0.921
local terms energy: -239.607703
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -49.273
flat angles C4'-P-C4' energy: -61.054
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -55.445
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: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -714.020746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.020746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.020746 (E_RNA)
where:
Base-Base interactions energy: -477.016
where: short stacking energy: -203.289
Base-Backbone interact. energy: 0.146
local terms energy: -237.151149
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -51.316
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -56.750
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: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -665.054894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.054894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.054894 (E_RNA)
where:
Base-Base interactions energy: -441.942
where: short stacking energy: -186.490
Base-Backbone interact. energy: -1.250
local terms energy: -221.862415
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -49.563
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -47.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -405.356646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.356646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.356646 (E_RNA)
where:
Base-Base interactions energy: -217.491
where: short stacking energy: -93.866
Base-Backbone interact. energy: -1.916
local terms energy: -185.949465
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -46.367
flat angles C4'-P-C4' energy: -42.614
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -278.535165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.535165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.535165 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -84.114
Base-Backbone interact. energy: 5.187
local terms energy: -141.112219
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -40.510
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -1.716
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: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -979.973137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.973137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.973137 (E_RNA)
where:
Base-Base interactions energy: -680.664
where: short stacking energy: -293.244
Base-Backbone interact. energy: -1.356
local terms energy: -297.953050
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -56.762
flat angles C4'-P-C4' energy: -57.539
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -80.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -955.853954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.853954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.853954 (E_RNA)
where:
Base-Base interactions energy: -664.078
where: short stacking energy: -282.943
Base-Backbone interact. energy: -1.072
local terms energy: -290.703962
where:
bonds (distance) C4'-P energy: -43.132
bonds (distance) P-C4' energy: -55.024
flat angles C4'-P-C4' energy: -62.959
flat angles P-C4'-P energy: -38.461
tors. eta vs tors. theta energy: -91.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -873.272747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.272747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.272747 (E_RNA)
where:
Base-Base interactions energy: -582.476
where: short stacking energy: -260.446
Base-Backbone interact. energy: -0.774
local terms energy: -290.022018
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -62.244
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -79.471
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: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -856.557156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.557156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.557156 (E_RNA)
where:
Base-Base interactions energy: -579.507
where: short stacking energy: -249.742
Base-Backbone interact. energy: 0.143
local terms energy: -277.193068
where:
bonds (distance) C4'-P energy: -56.072
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -62.722
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -74.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -823.985385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.985385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.985385 (E_RNA)
where:
Base-Base interactions energy: -572.271
where: short stacking energy: -253.203
Base-Backbone interact. energy: -0.221
local terms energy: -251.492615
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -53.138
flat angles C4'-P-C4' energy: -53.178
flat angles P-C4'-P energy: -34.473
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: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -804.247160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.247160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.247160 (E_RNA)
where:
Base-Base interactions energy: -540.470
where: short stacking energy: -242.570
Base-Backbone interact. energy: -0.438
local terms energy: -263.338605
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -48.947
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -65.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -682.566985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.566985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.566985 (E_RNA)
where:
Base-Base interactions energy: -462.493
where: short stacking energy: -194.866
Base-Backbone interact. energy: 0.708
local terms energy: -220.782158
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -47.616
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -49.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -700.202263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.202263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.202263 (E_RNA)
where:
Base-Base interactions energy: -483.077
where: short stacking energy: -203.737
Base-Backbone interact. energy: -1.061
local terms energy: -216.064415
where:
bonds (distance) C4'-P energy: -43.538
bonds (distance) P-C4' energy: -45.797
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: -44.538
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: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -419.643711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.643711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.643711 (E_RNA)
where:
Base-Base interactions energy: -225.270
where: short stacking energy: -121.301
Base-Backbone interact. energy: 1.850
local terms energy: -196.224292
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -38.894
flat angles P-C4'-P energy: -28.484
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -282.269260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.269260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.269260 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -84.621
Base-Backbone interact. energy: -0.849
local terms energy: -148.780170
where:
bonds (distance) C4'-P energy: -40.116
bonds (distance) P-C4' energy: -49.850
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -2.777
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: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -959.693498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.693498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.693498 (E_RNA)
where:
Base-Base interactions energy: -657.184
where: short stacking energy: -288.397
Base-Backbone interact. energy: -2.277
local terms energy: -300.232834
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -64.647
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -88.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -959.301145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.301145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.301145 (E_RNA)
where:
Base-Base interactions energy: -664.300
where: short stacking energy: -277.211
Base-Backbone interact. energy: -0.356
local terms energy: -294.645857
where:
bonds (distance) C4'-P energy: -65.242
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -55.318
flat angles P-C4'-P energy: -39.631
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -856.424455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.424455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.424455 (E_RNA)
where:
Base-Base interactions energy: -579.978
where: short stacking energy: -247.048
Base-Backbone interact. energy: -0.230
local terms energy: -276.216391
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -55.259
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -70.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -867.447100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.447100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.447100 (E_RNA)
where:
Base-Base interactions energy: -579.716
where: short stacking energy: -264.702
Base-Backbone interact. energy: -1.068
local terms energy: -286.662923
where:
bonds (distance) C4'-P energy: -55.389
bonds (distance) P-C4' energy: -43.809
flat angles C4'-P-C4' energy: -63.137
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -76.402
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: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -825.661319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.661319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.661319 (E_RNA)
where:
Base-Base interactions energy: -569.046
where: short stacking energy: -239.864
Base-Backbone interact. energy: -0.688
local terms energy: -255.927978
where:
bonds (distance) C4'-P energy: -46.581
bonds (distance) P-C4' energy: -50.976
flat angles C4'-P-C4' energy: -59.101
flat angles P-C4'-P energy: -32.322
tors. eta vs tors. theta energy: -66.948
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: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -781.435196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.435196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.435196 (E_RNA)
where:
Base-Base interactions energy: -538.727
where: short stacking energy: -234.947
Base-Backbone interact. energy: 0.477
local terms energy: -243.185461
where:
bonds (distance) C4'-P energy: -46.047
bonds (distance) P-C4' energy: -46.013
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -62.781
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: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -701.071335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.071335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.071335 (E_RNA)
where:
Base-Base interactions energy: -471.168
where: short stacking energy: -206.440
Base-Backbone interact. energy: -0.757
local terms energy: -229.146132
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -52.148
flat angles C4'-P-C4' energy: -49.769
flat angles P-C4'-P energy: -29.648
tors. eta vs tors. theta energy: -46.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -676.619834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.619834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.619834 (E_RNA)
where:
Base-Base interactions energy: -443.205
where: short stacking energy: -164.432
Base-Backbone interact. energy: -0.882
local terms energy: -232.532623
where:
bonds (distance) C4'-P energy: -49.014
bonds (distance) P-C4' energy: -52.387
flat angles C4'-P-C4' energy: -52.750
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -45.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -412.924975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.924975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.924975 (E_RNA)
where:
Base-Base interactions energy: -243.823
where: short stacking energy: -123.433
Base-Backbone interact. energy: 1.240
local terms energy: -170.341973
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -41.489
flat angles P-C4'-P energy: -28.876
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -275.408245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.408245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.408245 (E_RNA)
where:
Base-Base interactions energy: -134.766
where: short stacking energy: -82.511
Base-Backbone interact. energy: 1.142
local terms energy: -141.784360
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -48.159
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: 4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -970.876765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.876765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.876765 (E_RNA)
where:
Base-Base interactions energy: -659.326
where: short stacking energy: -281.633
Base-Backbone interact. energy: -1.179
local terms energy: -310.371762
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -59.344
flat angles P-C4'-P energy: -38.935
tors. eta vs tors. theta energy: -90.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -952.124451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.124451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.124451 (E_RNA)
where:
Base-Base interactions energy: -655.577
where: short stacking energy: -277.043
Base-Backbone interact. energy: 1.045
local terms energy: -297.592629
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -46.096
tors. eta vs tors. theta energy: -79.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -862.866279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.866279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.866279 (E_RNA)
where:
Base-Base interactions energy: -599.276
where: short stacking energy: -258.938
Base-Backbone interact. energy: -0.462
local terms energy: -263.127971
where:
bonds (distance) C4'-P energy: -53.843
bonds (distance) P-C4' energy: -44.076
flat angles C4'-P-C4' energy: -52.159
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -72.085
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: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -837.622379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.622379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.622379 (E_RNA)
where:
Base-Base interactions energy: -578.374
where: short stacking energy: -237.914
Base-Backbone interact. energy: -0.312
local terms energy: -258.936514
where:
bonds (distance) C4'-P energy: -47.696
bonds (distance) P-C4' energy: -50.577
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: -68.229
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: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -853.667336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.667336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.667336 (E_RNA)
where:
Base-Base interactions energy: -593.435
where: short stacking energy: -247.515
Base-Backbone interact. energy: -0.110
local terms energy: -260.121664
where:
bonds (distance) C4'-P energy: -48.251
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -74.591
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: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -787.423522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.423522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.423522 (E_RNA)
where:
Base-Base interactions energy: -556.225
where: short stacking energy: -236.213
Base-Backbone interact. energy: -0.266
local terms energy: -230.932773
where:
bonds (distance) C4'-P energy: -43.998
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: -65.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -706.325976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.325976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.325976 (E_RNA)
where:
Base-Base interactions energy: -478.235
where: short stacking energy: -202.133
Base-Backbone interact. energy: -1.954
local terms energy: -226.137622
where:
bonds (distance) C4'-P energy: -48.897
bonds (distance) P-C4' energy: -47.864
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -50.804
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: -673.829997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.829997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.829997 (E_RNA)
where:
Base-Base interactions energy: -469.671
where: short stacking energy: -190.453
Base-Backbone interact. energy: -1.267
local terms energy: -202.891927
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -44.501
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -20.680
tors. eta vs tors. theta energy: -47.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -419.473197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.473197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.473197 (E_RNA)
where:
Base-Base interactions energy: -236.696
where: short stacking energy: -128.467
Base-Backbone interact. energy: -0.141
local terms energy: -182.635569
where:
bonds (distance) C4'-P energy: -45.675
bonds (distance) P-C4' energy: -38.929
flat angles C4'-P-C4' energy: -40.453
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -273.008021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.008021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.008021 (E_RNA)
where:
Base-Base interactions energy: -123.418
where: short stacking energy: -83.812
Base-Backbone interact. energy: -0.297
local terms energy: -149.292835
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -42.050
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -948.877636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.877636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.877636 (E_RNA)
where:
Base-Base interactions energy: -650.953
where: short stacking energy: -272.421
Base-Backbone interact. energy: -1.330
local terms energy: -296.594725
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -54.216
flat angles C4'-P-C4' energy: -63.200
flat angles P-C4'-P energy: -44.415
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: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -977.383126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.383126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.383126 (E_RNA)
where:
Base-Base interactions energy: -663.715
where: short stacking energy: -280.876
Base-Backbone interact. energy: -0.426
local terms energy: -313.241556
where:
bonds (distance) C4'-P energy: -53.141
bonds (distance) P-C4' energy: -61.261
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -48.330
tors. eta vs tors. theta energy: -88.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -856.027373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.027373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.027373 (E_RNA)
where:
Base-Base interactions energy: -579.006
where: short stacking energy: -243.641
Base-Backbone interact. energy: -0.510
local terms energy: -276.511056
where:
bonds (distance) C4'-P energy: -47.995
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -60.859
flat angles P-C4'-P energy: -44.446
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: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -854.174846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.174846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.174846 (E_RNA)
where:
Base-Base interactions energy: -576.698
where: short stacking energy: -241.510
Base-Backbone interact. energy: -1.181
local terms energy: -276.295627
where:
bonds (distance) C4'-P energy: -49.840
bonds (distance) P-C4' energy: -61.647
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -73.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -841.610930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.610930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.610930 (E_RNA)
where:
Base-Base interactions energy: -564.776
where: short stacking energy: -250.887
Base-Backbone interact. energy: -0.655
local terms energy: -276.180698
where:
bonds (distance) C4'-P energy: -53.336
bonds (distance) P-C4' energy: -55.502
flat angles C4'-P-C4' energy: -52.233
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: -75.303
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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -803.992393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.992393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.992393 (E_RNA)
where:
Base-Base interactions energy: -556.729
where: short stacking energy: -232.563
Base-Backbone interact. energy: -0.738
local terms energy: -246.525079
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -62.755
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -73.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -721.245992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.245992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.245992 (E_RNA)
where:
Base-Base interactions energy: -473.866
where: short stacking energy: -212.475
Base-Backbone interact. energy: 1.503
local terms energy: -248.882181
where:
bonds (distance) C4'-P energy: -40.776
bonds (distance) P-C4' energy: -42.194
flat angles C4'-P-C4' energy: -55.790
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -66.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -670.114256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.114256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.114256 (E_RNA)
where:
Base-Base interactions energy: -461.662
where: short stacking energy: -192.241
Base-Backbone interact. energy: -0.796
local terms energy: -207.656362
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -37.896
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -56.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -430.362181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.362181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.362181 (E_RNA)
where:
Base-Base interactions energy: -255.449
where: short stacking energy: -131.225
Base-Backbone interact. energy: 1.943
local terms energy: -176.856590
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -48.901
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -281.701950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.701950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.701950 (E_RNA)
where:
Base-Base interactions energy: -136.232
where: short stacking energy: -84.787
Base-Backbone interact. energy: 0.112
local terms energy: -145.581592
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -42.495
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -3.180
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: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -967.139048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.139048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.139048 (E_RNA)
where:
Base-Base interactions energy: -668.895
where: short stacking energy: -296.889
Base-Backbone interact. energy: 0.726
local terms energy: -298.969752
where:
bonds (distance) C4'-P energy: -53.531
bonds (distance) P-C4' energy: -53.067
flat angles C4'-P-C4' energy: -63.343
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -88.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -934.358122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.358122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.358122 (E_RNA)
where:
Base-Base interactions energy: -641.151
where: short stacking energy: -273.231
Base-Backbone interact. energy: -0.245
local terms energy: -292.962436
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -83.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -858.585953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.585953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.585953 (E_RNA)
where:
Base-Base interactions energy: -585.147
where: short stacking energy: -265.267
Base-Backbone interact. energy: 0.329
local terms energy: -273.767547
where:
bonds (distance) C4'-P energy: -48.280
bonds (distance) P-C4' energy: -48.917
flat angles C4'-P-C4' energy: -53.986
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -81.449
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -841.713633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.713633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.713633 (E_RNA)
where:
Base-Base interactions energy: -579.243
where: short stacking energy: -255.442
Base-Backbone interact. energy: -0.973
local terms energy: -261.497473
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -69.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -829.350932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.350932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.350932 (E_RNA)
where:
Base-Base interactions energy: -576.759
where: short stacking energy: -263.584
Base-Backbone interact. energy: 2.642
local terms energy: -255.234440
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -43.313
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -31.560
tors. eta vs tors. theta energy: -81.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -815.896001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.896001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.896001 (E_RNA)
where:
Base-Base interactions energy: -553.274
where: short stacking energy: -242.083
Base-Backbone interact. energy: -1.073
local terms energy: -261.549724
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -50.928
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -70.478
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -717.708423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.708423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.708423 (E_RNA)
where:
Base-Base interactions energy: -472.315
where: short stacking energy: -211.596
Base-Backbone interact. energy: -0.698
local terms energy: -244.695658
where:
bonds (distance) C4'-P energy: -47.942
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -47.144
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -60.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -669.227555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.227555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.227555 (E_RNA)
where:
Base-Base interactions energy: -451.273
where: short stacking energy: -189.542
Base-Backbone interact. energy: -0.673
local terms energy: -217.281115
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -43.947
flat angles C4'-P-C4' energy: -53.341
flat angles P-C4'-P energy: -32.704
tors. eta vs tors. theta energy: -46.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -426.191565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.191565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.191565 (E_RNA)
where:
Base-Base interactions energy: -239.130
where: short stacking energy: -138.178
Base-Backbone interact. energy: 0.347
local terms energy: -187.408007
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -49.276
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -35.109
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: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -295.427808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.427808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.427808 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -83.414
Base-Backbone interact. energy: -0.676
local terms energy: -172.505927
where:
bonds (distance) C4'-P energy: -55.643
bonds (distance) P-C4' energy: -46.610
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -953.958101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.958101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.958101 (E_RNA)
where:
Base-Base interactions energy: -666.959
where: short stacking energy: -284.390
Base-Backbone interact. energy: -1.830
local terms energy: -285.169066
where:
bonds (distance) C4'-P energy: -56.781
bonds (distance) P-C4' energy: -43.853
flat angles C4'-P-C4' energy: -64.237
flat angles P-C4'-P energy: -40.442
tors. eta vs tors. theta energy: -79.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -939.768610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.768610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.768610 (E_RNA)
where:
Base-Base interactions energy: -639.141
where: short stacking energy: -283.470
Base-Backbone interact. energy: -1.910
local terms energy: -298.717049
where:
bonds (distance) C4'-P energy: -55.562
bonds (distance) P-C4' energy: -60.804
flat angles C4'-P-C4' energy: -53.657
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -85.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -863.244689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.244689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.244689 (E_RNA)
where:
Base-Base interactions energy: -609.822
where: short stacking energy: -259.508
Base-Backbone interact. energy: -0.697
local terms energy: -252.726027
where:
bonds (distance) C4'-P energy: -57.488
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -48.795
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -68.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -813.029168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.029168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.029168 (E_RNA)
where:
Base-Base interactions energy: -555.552
where: short stacking energy: -233.400
Base-Backbone interact. energy: -0.322
local terms energy: -257.155949
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -57.248
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -63.477
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: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -817.823667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.823667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.823667 (E_RNA)
where:
Base-Base interactions energy: -567.486
where: short stacking energy: -244.893
Base-Backbone interact. energy: 1.032
local terms energy: -251.370547
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -44.650
flat angles C4'-P-C4' energy: -60.725
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -67.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -797.917784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.917784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.917784 (E_RNA)
where:
Base-Base interactions energy: -546.575
where: short stacking energy: -229.823
Base-Backbone interact. energy: -0.521
local terms energy: -250.822686
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -32.776
tors. eta vs tors. theta energy: -65.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -724.793469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.793469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.793469 (E_RNA)
where:
Base-Base interactions energy: -481.858
where: short stacking energy: -210.375
Base-Backbone interact. energy: 0.055
local terms energy: -242.990409
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -47.344
flat angles C4'-P-C4' energy: -50.467
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -66.701
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: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -656.228903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.228903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.228903 (E_RNA)
where:
Base-Base interactions energy: -434.237
where: short stacking energy: -181.646
Base-Backbone interact. energy: -0.789
local terms energy: -221.202118
where:
bonds (distance) C4'-P energy: -43.762
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -46.624
flat angles P-C4'-P energy: -36.847
tors. eta vs tors. theta energy: -44.399
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: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -418.169404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.169404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.169404 (E_RNA)
where:
Base-Base interactions energy: -254.489
where: short stacking energy: -126.862
Base-Backbone interact. energy: 1.973
local terms energy: -165.653175
where:
bonds (distance) C4'-P energy: -47.864
bonds (distance) P-C4' energy: -34.296
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -33.158
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -301.081137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.081137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.081137 (E_RNA)
where:
Base-Base interactions energy: -157.243
where: short stacking energy: -86.266
Base-Backbone interact. energy: 2.152
local terms energy: -145.990461
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -34.407
flat angles P-C4'-P energy: -28.523
tors. eta vs tors. theta energy: 5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -947.592290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.592290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.592290 (E_RNA)
where:
Base-Base interactions energy: -645.583
where: short stacking energy: -272.086
Base-Backbone interact. energy: -0.631
local terms energy: -301.378086
where:
bonds (distance) C4'-P energy: -56.600
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -64.552
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -932.935614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.935614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.935614 (E_RNA)
where:
Base-Base interactions energy: -649.411
where: short stacking energy: -279.679
Base-Backbone interact. energy: -0.353
local terms energy: -283.170927
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -57.105
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -36.692
tors. eta vs tors. theta energy: -86.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -877.101162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.101162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.101162 (E_RNA)
where:
Base-Base interactions energy: -609.147
where: short stacking energy: -266.097
Base-Backbone interact. energy: -0.732
local terms energy: -267.222133
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -37.319
tors. eta vs tors. theta energy: -71.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -820.624076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.624076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.624076 (E_RNA)
where:
Base-Base interactions energy: -560.465
where: short stacking energy: -235.506
Base-Backbone interact. energy: -0.177
local terms energy: -259.982008
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -44.076
flat angles C4'-P-C4' energy: -54.844
flat angles P-C4'-P energy: -40.834
tors. eta vs tors. theta energy: -69.668
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: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -799.819853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.819853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.819853 (E_RNA)
where:
Base-Base interactions energy: -562.415
where: short stacking energy: -235.629
Base-Backbone interact. energy: -0.671
local terms energy: -236.734672
where:
bonds (distance) C4'-P energy: -45.760
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -52.124
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -63.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -774.200378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.200378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.200378 (E_RNA)
where:
Base-Base interactions energy: -536.858
where: short stacking energy: -216.268
Base-Backbone interact. energy: -0.259
local terms energy: -237.082945
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -41.820
flat angles C4'-P-C4' energy: -47.336
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -63.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -791.941940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.941940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.941940 (E_RNA)
where:
Base-Base interactions energy: -533.564
where: short stacking energy: -218.693
Base-Backbone interact. energy: -2.497
local terms energy: -255.880546
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -52.442
flat angles P-C4'-P energy: -41.867
tors. eta vs tors. theta energy: -62.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -678.825024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.825024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.825024 (E_RNA)
where:
Base-Base interactions energy: -473.310
where: short stacking energy: -192.463
Base-Backbone interact. energy: -0.394
local terms energy: -205.121159
where:
bonds (distance) C4'-P energy: -40.465
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -51.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -422.069647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.069647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.069647 (E_RNA)
where:
Base-Base interactions energy: -227.472
where: short stacking energy: -127.817
Base-Backbone interact. energy: 1.553
local terms energy: -196.151532
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -25.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -295.501896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.501896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.501896 (E_RNA)
where:
Base-Base interactions energy: -127.395
where: short stacking energy: -76.697
Base-Backbone interact. energy: -1.621
local terms energy: -166.485468
where:
bonds (distance) C4'-P energy: -50.000
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -39.971
flat angles P-C4'-P energy: -19.406
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: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -938.368023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.368023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.368023 (E_RNA)
where:
Base-Base interactions energy: -654.552
where: short stacking energy: -286.900
Base-Backbone interact. energy: -1.535
local terms energy: -282.281451
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -55.741
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -86.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -941.765474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.765474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.765474 (E_RNA)
where:
Base-Base interactions energy: -659.916
where: short stacking energy: -271.139
Base-Backbone interact. energy: -0.054
local terms energy: -281.796245
where:
bonds (distance) C4'-P energy: -52.574
bonds (distance) P-C4' energy: -50.759
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -80.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -817.977632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.977632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.977632 (E_RNA)
where:
Base-Base interactions energy: -558.212
where: short stacking energy: -250.341
Base-Backbone interact. energy: 1.395
local terms energy: -261.160349
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -44.546
tors. eta vs tors. theta energy: -64.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -871.192586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.192586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.192586 (E_RNA)
where:
Base-Base interactions energy: -602.444
where: short stacking energy: -265.234
Base-Backbone interact. energy: -0.664
local terms energy: -268.084380
where:
bonds (distance) C4'-P energy: -55.290
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -58.957
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -69.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -807.080184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.080184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.080184 (E_RNA)
where:
Base-Base interactions energy: -565.908
where: short stacking energy: -246.934
Base-Backbone interact. energy: 0.106
local terms energy: -241.278011
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -42.471
flat angles C4'-P-C4' energy: -58.238
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -64.072
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: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -747.850819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.850819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.850819 (E_RNA)
where:
Base-Base interactions energy: -516.409
where: short stacking energy: -211.612
Base-Backbone interact. energy: -0.451
local terms energy: -230.990468
where:
bonds (distance) C4'-P energy: -38.404
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -37.044
tors. eta vs tors. theta energy: -58.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -776.790127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.790127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.790127 (E_RNA)
where:
Base-Base interactions energy: -535.265
where: short stacking energy: -221.322
Base-Backbone interact. energy: -0.308
local terms energy: -241.217719
where:
bonds (distance) C4'-P energy: -50.443
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -56.118
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -61.003
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: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -689.780380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.780380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.780380 (E_RNA)
where:
Base-Base interactions energy: -471.613
where: short stacking energy: -201.814
Base-Backbone interact. energy: -0.907
local terms energy: -217.260125
where:
bonds (distance) C4'-P energy: -36.572
bonds (distance) P-C4' energy: -52.032
flat angles C4'-P-C4' energy: -51.542
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -51.000
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -447.487769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.487769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.487769 (E_RNA)
where:
Base-Base interactions energy: -270.961
where: short stacking energy: -133.833
Base-Backbone interact. energy: 0.783
local terms energy: -177.310662
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -31.177
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -305.243790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.243790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.243790 (E_RNA)
where:
Base-Base interactions energy: -148.142
where: short stacking energy: -81.489
Base-Backbone interact. energy: -0.202
local terms energy: -156.900252
where:
bonds (distance) C4'-P energy: -40.056
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -41.554
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: 0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -958.917996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.917996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.917996 (E_RNA)
where:
Base-Base interactions energy: -660.559
where: short stacking energy: -277.187
Base-Backbone interact. energy: -1.893
local terms energy: -296.466537
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -52.656
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -45.534
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: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -935.106544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.106544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.106544 (E_RNA)
where:
Base-Base interactions energy: -650.898
where: short stacking energy: -286.576
Base-Backbone interact. energy: -0.397
local terms energy: -283.811216
where:
bonds (distance) C4'-P energy: -50.292
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -59.219
flat angles P-C4'-P energy: -35.279
tors. eta vs tors. theta energy: -87.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -842.805933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.805933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.805933 (E_RNA)
where:
Base-Base interactions energy: -586.963
where: short stacking energy: -258.698
Base-Backbone interact. energy: -0.408
local terms energy: -255.435024
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -69.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -850.117932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.117932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.117932 (E_RNA)
where:
Base-Base interactions energy: -588.809
where: short stacking energy: -256.062
Base-Backbone interact. energy: 0.950
local terms energy: -262.258714
where:
bonds (distance) C4'-P energy: -43.404
bonds (distance) P-C4' energy: -56.795
flat angles C4'-P-C4' energy: -54.973
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -73.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -809.344747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.344747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.344747 (E_RNA)
where:
Base-Base interactions energy: -542.092
where: short stacking energy: -220.086
Base-Backbone interact. energy: -0.774
local terms energy: -266.478776
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -52.526
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: -65.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -786.827159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.827159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.827159 (E_RNA)
where:
Base-Base interactions energy: -541.976
where: short stacking energy: -239.607
Base-Backbone interact. energy: -1.309
local terms energy: -243.541611
where:
bonds (distance) C4'-P energy: -43.113
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -55.873
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -68.352
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: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -706.307192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.307192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.307192 (E_RNA)
where:
Base-Base interactions energy: -459.016
where: short stacking energy: -189.647
Base-Backbone interact. energy: -0.188
local terms energy: -247.102728
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -54.672
flat angles C4'-P-C4' energy: -56.196
flat angles P-C4'-P energy: -42.665
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -675.723137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.723137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.723137 (E_RNA)
where:
Base-Base interactions energy: -463.972
where: short stacking energy: -189.030
Base-Backbone interact. energy: 1.324
local terms energy: -213.075545
where:
bonds (distance) C4'-P energy: -45.939
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -417.056404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.056404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.056404 (E_RNA)
where:
Base-Base interactions energy: -244.290
where: short stacking energy: -127.675
Base-Backbone interact. energy: -0.956
local terms energy: -171.810186
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -45.130
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -301.833302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.833302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.833302 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -91.720
Base-Backbone interact. energy: 0.668
local terms energy: -157.044696
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -957.740914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.740914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.740914 (E_RNA)
where:
Base-Base interactions energy: -664.566
where: short stacking energy: -288.065
Base-Backbone interact. energy: -0.709
local terms energy: -292.465575
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -63.009
flat angles P-C4'-P energy: -33.786
tors. eta vs tors. theta energy: -88.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -958.249115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.249115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.249115 (E_RNA)
where:
Base-Base interactions energy: -660.547
where: short stacking energy: -279.112
Base-Backbone interact. energy: -1.027
local terms energy: -296.675680
where:
bonds (distance) C4'-P energy: -58.645
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -57.416
flat angles P-C4'-P energy: -40.665
tors. eta vs tors. theta energy: -86.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -846.696227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.696227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.696227 (E_RNA)
where:
Base-Base interactions energy: -571.353
where: short stacking energy: -243.414
Base-Backbone interact. energy: -0.224
local terms energy: -275.119706
where:
bonds (distance) C4'-P energy: -60.390
bonds (distance) P-C4' energy: -51.955
flat angles C4'-P-C4' energy: -55.136
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -70.180
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: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -850.852042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.852042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.852042 (E_RNA)
where:
Base-Base interactions energy: -583.486
where: short stacking energy: -259.862
Base-Backbone interact. energy: -0.902
local terms energy: -266.463989
where:
bonds (distance) C4'-P energy: -46.014
bonds (distance) P-C4' energy: -50.227
flat angles C4'-P-C4' energy: -58.665
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: -71.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -827.223013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.223013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.223013 (E_RNA)
where:
Base-Base interactions energy: -556.031
where: short stacking energy: -241.246
Base-Backbone interact. energy: 0.463
local terms energy: -271.655280
where:
bonds (distance) C4'-P energy: -54.396
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -55.747
flat angles P-C4'-P energy: -44.144
tors. eta vs tors. theta energy: -67.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -799.689278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.689278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.689278 (E_RNA)
where:
Base-Base interactions energy: -536.748
where: short stacking energy: -241.434
Base-Backbone interact. energy: 0.379
local terms energy: -263.320098
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -53.813
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: -63.103
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: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -711.039113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.039113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.039113 (E_RNA)
where:
Base-Base interactions energy: -485.062
where: short stacking energy: -218.750
Base-Backbone interact. energy: -0.827
local terms energy: -225.150443
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -41.249
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -56.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -702.814087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.814087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.814087 (E_RNA)
where:
Base-Base interactions energy: -484.951
where: short stacking energy: -201.747
Base-Backbone interact. energy: -1.151
local terms energy: -216.711691
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -34.265
tors. eta vs tors. theta energy: -50.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -391.448892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.448892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.448892 (E_RNA)
where:
Base-Base interactions energy: -217.623
where: short stacking energy: -118.802
Base-Backbone interact. energy: -1.760
local terms energy: -172.065165
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -42.113
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -14.990
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: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -286.593059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.593059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.593059 (E_RNA)
where:
Base-Base interactions energy: -134.111
where: short stacking energy: -85.114
Base-Backbone interact. energy: -0.696
local terms energy: -151.785844
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -46.707
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -6.073
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: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -950.558945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.558945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.558945 (E_RNA)
where:
Base-Base interactions energy: -658.689
where: short stacking energy: -278.313
Base-Backbone interact. energy: 1.175
local terms energy: -293.044752
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: -89.599
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: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -934.586383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.586383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.586383 (E_RNA)
where:
Base-Base interactions energy: -643.730
where: short stacking energy: -269.448
Base-Backbone interact. energy: -1.054
local terms energy: -289.801750
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -63.604
flat angles P-C4'-P energy: -40.726
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: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -867.341661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.341661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.341661 (E_RNA)
where:
Base-Base interactions energy: -594.724
where: short stacking energy: -278.633
Base-Backbone interact. energy: -0.561
local terms energy: -272.056310
where:
bonds (distance) C4'-P energy: -49.956
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -43.088
tors. eta vs tors. theta energy: -72.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -860.920984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.920984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.920984 (E_RNA)
where:
Base-Base interactions energy: -595.567
where: short stacking energy: -254.117
Base-Backbone interact. energy: -0.771
local terms energy: -264.583329
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -58.161
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -69.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -817.965402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.965402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.965402 (E_RNA)
where:
Base-Base interactions energy: -553.255
where: short stacking energy: -232.189
Base-Backbone interact. energy: 0.626
local terms energy: -265.336049
where:
bonds (distance) C4'-P energy: -41.679
bonds (distance) P-C4' energy: -50.806
flat angles C4'-P-C4' energy: -61.890
flat angles P-C4'-P energy: -41.500
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: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -810.372305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.372305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.372305 (E_RNA)
where:
Base-Base interactions energy: -556.059
where: short stacking energy: -246.869
Base-Backbone interact. energy: -0.663
local terms energy: -253.650771
where:
bonds (distance) C4'-P energy: -43.964
bonds (distance) P-C4' energy: -42.287
flat angles C4'-P-C4' energy: -58.064
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -70.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -709.002451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.002451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.002451 (E_RNA)
where:
Base-Base interactions energy: -473.438
where: short stacking energy: -196.277
Base-Backbone interact. energy: -1.627
local terms energy: -233.937699
where:
bonds (distance) C4'-P energy: -47.263
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -59.734
flat angles P-C4'-P energy: -35.558
tors. eta vs tors. theta energy: -43.335
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: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -688.322436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.322436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.322436 (E_RNA)
where:
Base-Base interactions energy: -470.852
where: short stacking energy: -190.700
Base-Backbone interact. energy: 0.814
local terms energy: -218.284611
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -48.486
flat angles P-C4'-P energy: -27.994
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: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -409.310702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.310702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.310702 (E_RNA)
where:
Base-Base interactions energy: -229.761
where: short stacking energy: -108.077
Base-Backbone interact. energy: 0.334
local terms energy: -179.883568
where:
bonds (distance) C4'-P energy: -38.819
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -44.017
flat angles P-C4'-P energy: -30.442
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -286.814589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.814589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.814589 (E_RNA)
where:
Base-Base interactions energy: -137.747
where: short stacking energy: -78.689
Base-Backbone interact. energy: 0.884
local terms energy: -149.950891
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -46.590
flat angles C4'-P-C4' energy: -41.001
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: 2.353
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: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -967.838079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.838079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.838079 (E_RNA)
where:
Base-Base interactions energy: -660.093
where: short stacking energy: -291.573
Base-Backbone interact. energy: -1.412
local terms energy: -306.333421
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -52.771
flat angles C4'-P-C4' energy: -64.679
flat angles P-C4'-P energy: -46.876
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: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -945.650876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.650876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.650876 (E_RNA)
where:
Base-Base interactions energy: -672.976
where: short stacking energy: -266.858
Base-Backbone interact. energy: -0.402
local terms energy: -272.273117
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -49.811
flat angles C4'-P-C4' energy: -53.405
flat angles P-C4'-P energy: -41.896
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: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -858.218815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.218815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.218815 (E_RNA)
where:
Base-Base interactions energy: -589.380
where: short stacking energy: -250.455
Base-Backbone interact. energy: 0.236
local terms energy: -269.074290
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -54.434
flat angles C4'-P-C4' energy: -53.393
flat angles P-C4'-P energy: -42.522
tors. eta vs tors. theta energy: -73.724
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: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -850.382347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.382347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.382347 (E_RNA)
where:
Base-Base interactions energy: -559.455
where: short stacking energy: -251.859
Base-Backbone interact. energy: -0.643
local terms energy: -290.284120
where:
bonds (distance) C4'-P energy: -55.779
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -39.496
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: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -815.428762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.428762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.428762 (E_RNA)
where:
Base-Base interactions energy: -541.053
where: short stacking energy: -221.999
Base-Backbone interact. energy: 0.299
local terms energy: -274.674940
where:
bonds (distance) C4'-P energy: -57.737
bonds (distance) P-C4' energy: -51.266
flat angles C4'-P-C4' energy: -59.014
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -64.438
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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -799.729590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.729590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.729590 (E_RNA)
where:
Base-Base interactions energy: -538.309
where: short stacking energy: -236.572
Base-Backbone interact. energy: -0.177
local terms energy: -261.244239
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -49.535
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -73.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -727.072338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.072338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.072338 (E_RNA)
where:
Base-Base interactions energy: -509.465
where: short stacking energy: -198.333
Base-Backbone interact. energy: 1.266
local terms energy: -218.873372
where:
bonds (distance) C4'-P energy: -52.266
bonds (distance) P-C4' energy: -49.155
flat angles C4'-P-C4' energy: -39.164
flat angles P-C4'-P energy: -28.191
tors. eta vs tors. theta energy: -50.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -644.120659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.120659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.120659 (E_RNA)
where:
Base-Base interactions energy: -451.325
where: short stacking energy: -179.599
Base-Backbone interact. energy: 2.517
local terms energy: -195.313314
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -49.367
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -35.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -407.361395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.361395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.361395 (E_RNA)
where:
Base-Base interactions energy: -226.846
where: short stacking energy: -118.494
Base-Backbone interact. energy: -0.625
local terms energy: -179.890712
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -49.560
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -280.836633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.836633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.836633 (E_RNA)
where:
Base-Base interactions energy: -131.431
where: short stacking energy: -93.560
Base-Backbone interact. energy: 1.028
local terms energy: -150.433750
where:
bonds (distance) C4'-P energy: -49.001
bonds (distance) P-C4' energy: -50.454
flat angles C4'-P-C4' energy: -40.860
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: 5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -963.278444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.278444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.278444 (E_RNA)
where:
Base-Base interactions energy: -654.133
where: short stacking energy: -285.297
Base-Backbone interact. energy: -0.798
local terms energy: -308.346689
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -67.162
flat angles P-C4'-P energy: -41.979
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: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -948.477391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.477391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.477391 (E_RNA)
where:
Base-Base interactions energy: -659.286
where: short stacking energy: -277.521
Base-Backbone interact. energy: -1.689
local terms energy: -287.501764
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -44.150
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -42.917
tors. eta vs tors. theta energy: -84.842
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: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -870.694188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.694188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.694188 (E_RNA)
where:
Base-Base interactions energy: -609.122
where: short stacking energy: -265.809
Base-Backbone interact. energy: -0.136
local terms energy: -261.436710
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -57.530
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -74.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -831.508289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.508289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.508289 (E_RNA)
where:
Base-Base interactions energy: -551.459
where: short stacking energy: -244.231
Base-Backbone interact. energy: -0.487
local terms energy: -279.561928
where:
bonds (distance) C4'-P energy: -48.900
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -59.219
flat angles P-C4'-P energy: -47.167
tors. eta vs tors. theta energy: -69.517
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: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -817.440211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.440211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.440211 (E_RNA)
where:
Base-Base interactions energy: -545.322
where: short stacking energy: -227.987
Base-Backbone interact. energy: -1.737
local terms energy: -270.381000
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -66.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -805.581562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.581562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.581562 (E_RNA)
where:
Base-Base interactions energy: -563.325
where: short stacking energy: -245.658
Base-Backbone interact. energy: -0.912
local terms energy: -241.344190
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -54.272
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -63.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -736.051031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.051031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.051031 (E_RNA)
where:
Base-Base interactions energy: -512.631
where: short stacking energy: -206.105
Base-Backbone interact. energy: 1.804
local terms energy: -225.223784
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -44.972
flat angles C4'-P-C4' energy: -42.780
flat angles P-C4'-P energy: -31.418
tors. eta vs tors. theta energy: -57.876
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: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -669.647958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.647958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.647958 (E_RNA)
where:
Base-Base interactions energy: -458.622
where: short stacking energy: -190.100
Base-Backbone interact. energy: -0.161
local terms energy: -210.864675
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -51.073
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -448.800414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.800414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.800414 (E_RNA)
where:
Base-Base interactions energy: -267.002
where: short stacking energy: -108.822
Base-Backbone interact. energy: 1.070
local terms energy: -182.868969
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -56.679
flat angles C4'-P-C4' energy: -44.268
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -303.053814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.053814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.053814 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -65.431
Base-Backbone interact. energy: 0.295
local terms energy: -161.442196
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -41.286
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -955.102027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.102027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.102027 (E_RNA)
where:
Base-Base interactions energy: -664.141
where: short stacking energy: -281.886
Base-Backbone interact. energy: -0.224
local terms energy: -290.737198
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -78.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -927.846525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.846525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.846525 (E_RNA)
where:
Base-Base interactions energy: -631.134
where: short stacking energy: -268.892
Base-Backbone interact. energy: -0.241
local terms energy: -296.471771
where:
bonds (distance) C4'-P energy: -56.116
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -81.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -880.289532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.289532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.289532 (E_RNA)
where:
Base-Base interactions energy: -599.903
where: short stacking energy: -264.838
Base-Backbone interact. energy: -3.090
local terms energy: -277.296833
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -33.749
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: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -841.403940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.403940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.403940 (E_RNA)
where:
Base-Base interactions energy: -579.315
where: short stacking energy: -251.095
Base-Backbone interact. energy: -1.154
local terms energy: -260.934700
where:
bonds (distance) C4'-P energy: -37.403
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -60.444
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -71.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -813.834649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.834649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.834649 (E_RNA)
where:
Base-Base interactions energy: -546.737
where: short stacking energy: -231.313
Base-Backbone interact. energy: -0.101
local terms energy: -266.996311
where:
bonds (distance) C4'-P energy: -56.497
bonds (distance) P-C4' energy: -55.320
flat angles C4'-P-C4' energy: -51.083
flat angles P-C4'-P energy: -35.714
tors. eta vs tors. theta energy: -68.383
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: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -793.695001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.695001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.695001 (E_RNA)
where:
Base-Base interactions energy: -555.926
where: short stacking energy: -236.555
Base-Backbone interact. energy: -0.837
local terms energy: -236.932186
where:
bonds (distance) C4'-P energy: -51.049
bonds (distance) P-C4' energy: -45.935
flat angles C4'-P-C4' energy: -43.725
flat angles P-C4'-P energy: -28.964
tors. eta vs tors. theta energy: -67.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -704.832946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.832946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.832946 (E_RNA)
where:
Base-Base interactions energy: -498.550
where: short stacking energy: -204.226
Base-Backbone interact. energy: 0.459
local terms energy: -206.742008
where:
bonds (distance) C4'-P energy: -47.408
bonds (distance) P-C4' energy: -46.806
flat angles C4'-P-C4' energy: -33.980
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -53.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -678.672295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.672295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.672295 (E_RNA)
where:
Base-Base interactions energy: -463.632
where: short stacking energy: -195.615
Base-Backbone interact. energy: 0.971
local terms energy: -216.011946
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -51.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -484.480792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.480792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.480792 (E_RNA)
where:
Base-Base interactions energy: -284.151
where: short stacking energy: -139.320
Base-Backbone interact. energy: 0.193
local terms energy: -200.523061
where:
bonds (distance) C4'-P energy: -46.357
bonds (distance) P-C4' energy: -44.914
flat angles C4'-P-C4' energy: -39.756
flat angles P-C4'-P energy: -35.768
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -297.529399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.529399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.529399 (E_RNA)
where:
Base-Base interactions energy: -128.335
where: short stacking energy: -75.021
Base-Backbone interact. energy: -1.836
local terms energy: -167.358200
where:
bonds (distance) C4'-P energy: -42.114
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -42.074
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -0.914
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: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -954.291341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.291341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.291341 (E_RNA)
where:
Base-Base interactions energy: -659.428
where: short stacking energy: -292.023
Base-Backbone interact. energy: -1.087
local terms energy: -293.776502
where:
bonds (distance) C4'-P energy: -53.980
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -84.892
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: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -937.196603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.196603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.196603 (E_RNA)
where:
Base-Base interactions energy: -661.242
where: short stacking energy: -275.969
Base-Backbone interact. energy: 1.295
local terms energy: -277.249660
where:
bonds (distance) C4'-P energy: -46.229
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -56.874
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -84.271
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: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -865.452099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.452099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.452099 (E_RNA)
where:
Base-Base interactions energy: -605.786
where: short stacking energy: -263.810
Base-Backbone interact. energy: -2.384
local terms energy: -257.282011
where:
bonds (distance) C4'-P energy: -45.905
bonds (distance) P-C4' energy: -52.641
flat angles C4'-P-C4' energy: -50.476
flat angles P-C4'-P energy: -40.020
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: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -826.210942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.210942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.210942 (E_RNA)
where:
Base-Base interactions energy: -560.494
where: short stacking energy: -246.746
Base-Backbone interact. energy: -0.640
local terms energy: -265.077397
where:
bonds (distance) C4'-P energy: -50.545
bonds (distance) P-C4' energy: -52.352
flat angles C4'-P-C4' energy: -57.192
flat angles P-C4'-P energy: -36.386
tors. eta vs tors. theta energy: -68.603
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: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -819.878442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.878442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.878442 (E_RNA)
where:
Base-Base interactions energy: -555.326
where: short stacking energy: -259.678
Base-Backbone interact. energy: -1.977
local terms energy: -262.575525
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -77.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -755.036580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.036580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.036580 (E_RNA)
where:
Base-Base interactions energy: -526.241
where: short stacking energy: -228.624
Base-Backbone interact. energy: -0.508
local terms energy: -228.287704
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -62.877
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: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -710.821474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.821474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.821474 (E_RNA)
where:
Base-Base interactions energy: -486.077
where: short stacking energy: -214.093
Base-Backbone interact. energy: 0.344
local terms energy: -225.089082
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -47.295
flat angles C4'-P-C4' energy: -55.107
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -63.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -660.074411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.074411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.074411 (E_RNA)
where:
Base-Base interactions energy: -436.085
where: short stacking energy: -173.771
Base-Backbone interact. energy: -0.505
local terms energy: -223.484091
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -46.295
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -39.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -456.478218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.478218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.478218 (E_RNA)
where:
Base-Base interactions energy: -275.156
where: short stacking energy: -126.976
Base-Backbone interact. energy: 2.744
local terms energy: -184.066259
where:
bonds (distance) C4'-P energy: -39.170
bonds (distance) P-C4' energy: -52.116
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -272.395451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.395451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.395451 (E_RNA)
where:
Base-Base interactions energy: -123.243
where: short stacking energy: -72.777
Base-Backbone interact. energy: 0.315
local terms energy: -149.467432
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -42.826
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: 2.982
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: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -959.698559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.698559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.698559 (E_RNA)
where:
Base-Base interactions energy: -664.699
where: short stacking energy: -291.457
Base-Backbone interact. energy: 0.605
local terms energy: -295.604685
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -58.044
flat angles C4'-P-C4' energy: -60.541
flat angles P-C4'-P energy: -41.956
tors. eta vs tors. theta energy: -82.238
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: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -935.796317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.796317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.796317 (E_RNA)
where:
Base-Base interactions energy: -662.018
where: short stacking energy: -278.892
Base-Backbone interact. energy: -0.912
local terms energy: -272.866924
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -43.128
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -46.621
tors. eta vs tors. theta energy: -79.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -856.283554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.283554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.283554 (E_RNA)
where:
Base-Base interactions energy: -579.896
where: short stacking energy: -249.147
Base-Backbone interact. energy: 2.283
local terms energy: -278.670161
where:
bonds (distance) C4'-P energy: -49.770
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -72.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -862.308517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.308517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.308517 (E_RNA)
where:
Base-Base interactions energy: -591.376
where: short stacking energy: -269.140
Base-Backbone interact. energy: -2.094
local terms energy: -268.839080
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -54.253
flat angles C4'-P-C4' energy: -54.697
flat angles P-C4'-P energy: -44.824
tors. eta vs tors. theta energy: -67.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -811.085911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.085911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.085911 (E_RNA)
where:
Base-Base interactions energy: -552.195
where: short stacking energy: -239.128
Base-Backbone interact. energy: -0.596
local terms energy: -258.294326
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -51.002
flat angles C4'-P-C4' energy: -56.556
flat angles P-C4'-P energy: -41.460
tors. eta vs tors. theta energy: -69.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -763.227006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.227006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.227006 (E_RNA)
where:
Base-Base interactions energy: -508.381
where: short stacking energy: -220.469
Base-Backbone interact. energy: 1.481
local terms energy: -256.326715
where:
bonds (distance) C4'-P energy: -52.478
bonds (distance) P-C4' energy: -51.323
flat angles C4'-P-C4' energy: -56.786
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -58.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -711.138859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.138859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.138859 (E_RNA)
where:
Base-Base interactions energy: -485.556
where: short stacking energy: -209.777
Base-Backbone interact. energy: -0.512
local terms energy: -225.070455
where:
bonds (distance) C4'-P energy: -44.935
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -47.822
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: -57.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -660.303024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.303024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.303024 (E_RNA)
where:
Base-Base interactions energy: -433.492
where: short stacking energy: -191.704
Base-Backbone interact. energy: 0.072
local terms energy: -226.883106
where:
bonds (distance) C4'-P energy: -46.077
bonds (distance) P-C4' energy: -45.401
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -53.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -453.925939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.925939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.925939 (E_RNA)
where:
Base-Base interactions energy: -286.172
where: short stacking energy: -142.161
Base-Backbone interact. energy: -0.637
local terms energy: -167.117368
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -46.794
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -260.437901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.437901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.437901 (E_RNA)
where:
Base-Base interactions energy: -124.331
where: short stacking energy: -51.121
Base-Backbone interact. energy: 0.401
local terms energy: -136.507992
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -18.548
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: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -946.515771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.515771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.515771 (E_RNA)
where:
Base-Base interactions energy: -659.863
where: short stacking energy: -282.730
Base-Backbone interact. energy: -0.014
local terms energy: -286.638899
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -57.340
flat angles P-C4'-P energy: -45.008
tors. eta vs tors. theta energy: -82.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -926.085752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.085752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.085752 (E_RNA)
where:
Base-Base interactions energy: -626.979
where: short stacking energy: -261.103
Base-Backbone interact. energy: -0.421
local terms energy: -298.685749
where:
bonds (distance) C4'-P energy: -58.561
bonds (distance) P-C4' energy: -55.881
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -78.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -896.873374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.873374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.873374 (E_RNA)
where:
Base-Base interactions energy: -609.006
where: short stacking energy: -257.757
Base-Backbone interact. energy: -0.153
local terms energy: -287.714641
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -51.038
flat angles C4'-P-C4' energy: -63.327
flat angles P-C4'-P energy: -38.424
tors. eta vs tors. theta energy: -79.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -824.872135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.872135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.872135 (E_RNA)
where:
Base-Base interactions energy: -565.544
where: short stacking energy: -237.866
Base-Backbone interact. energy: -0.305
local terms energy: -259.023328
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -50.141
flat angles C4'-P-C4' energy: -53.775
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -61.163
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -820.833899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.833899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.833899 (E_RNA)
where:
Base-Base interactions energy: -559.725
where: short stacking energy: -255.512
Base-Backbone interact. energy: -0.568
local terms energy: -260.540958
where:
bonds (distance) C4'-P energy: -47.464
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -53.425
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -77.273
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: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -718.798283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.798283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.798283 (E_RNA)
where:
Base-Base interactions energy: -494.271
where: short stacking energy: -203.765
Base-Backbone interact. energy: -0.872
local terms energy: -223.655704
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -38.607
tors. eta vs tors. theta energy: -53.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -768.599275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.599275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.599275 (E_RNA)
where:
Base-Base interactions energy: -527.582
where: short stacking energy: -227.107
Base-Backbone interact. energy: -0.233
local terms energy: -240.784433
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -30.705
tors. eta vs tors. theta energy: -63.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -688.709563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.709563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.709563 (E_RNA)
where:
Base-Base interactions energy: -454.049
where: short stacking energy: -183.240
Base-Backbone interact. energy: -1.372
local terms energy: -233.289032
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -49.385
flat angles C4'-P-C4' energy: -53.572
flat angles P-C4'-P energy: -39.726
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: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -484.039054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.039054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.039054 (E_RNA)
where:
Base-Base interactions energy: -290.443
where: short stacking energy: -143.936
Base-Backbone interact. energy: -0.721
local terms energy: -192.874709
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -46.830
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: -32.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -225.907971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.907971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.907971 (E_RNA)
where:
Base-Base interactions energy: -76.045
where: short stacking energy: -61.076
Base-Backbone interact. energy: -1.683
local terms energy: -148.179660
where:
bonds (distance) C4'-P energy: -45.921
bonds (distance) P-C4' energy: -55.229
flat angles C4'-P-C4' energy: -41.137
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: 5.298
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -942.449443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.449443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.449443 (E_RNA)
where:
Base-Base interactions energy: -665.672
where: short stacking energy: -274.500
Base-Backbone interact. energy: -2.007
local terms energy: -274.770430
where:
bonds (distance) C4'-P energy: -52.675
bonds (distance) P-C4' energy: -37.631
flat angles C4'-P-C4' energy: -58.817
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -81.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -957.388396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.388396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.388396 (E_RNA)
where:
Base-Base interactions energy: -668.120
where: short stacking energy: -275.345
Base-Backbone interact. energy: -0.580
local terms energy: -288.688612
where:
bonds (distance) C4'-P energy: -48.048
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -61.931
flat angles P-C4'-P energy: -45.902
tors. eta vs tors. theta energy: -85.350
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: 380
Temperature: 1.000000
Total energy: -883.365174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.365174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.365174 (E_RNA)
where:
Base-Base interactions energy: -606.138
where: short stacking energy: -276.248
Base-Backbone interact. energy: -0.609
local terms energy: -276.618042
where:
bonds (distance) C4'-P energy: -52.721
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -56.421
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -847.458515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.458515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.458515 (E_RNA)
where:
Base-Base interactions energy: -585.070
where: short stacking energy: -266.198
Base-Backbone interact. energy: -0.324
local terms energy: -262.064430
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -57.992
flat angles P-C4'-P energy: -33.378
tors. eta vs tors. theta energy: -79.816
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: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -777.100081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.100081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.100081 (E_RNA)
where:
Base-Base interactions energy: -533.895
where: short stacking energy: -236.446
Base-Backbone interact. energy: -0.643
local terms energy: -242.561894
where:
bonds (distance) C4'-P energy: -45.345
bonds (distance) P-C4' energy: -36.653
flat angles C4'-P-C4' energy: -54.358
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -67.380
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: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -771.659201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.659201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.659201 (E_RNA)
where:
Base-Base interactions energy: -530.907
where: short stacking energy: -224.150
Base-Backbone interact. energy: 0.059
local terms energy: -240.811198
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -60.452
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -66.985
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: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -746.692660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.692660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.692660 (E_RNA)
where:
Base-Base interactions energy: -514.947
where: short stacking energy: -211.552
Base-Backbone interact. energy: -0.123
local terms energy: -231.622366
where:
bonds (distance) C4'-P energy: -33.926
bonds (distance) P-C4' energy: -50.860
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -29.962
tors. eta vs tors. theta energy: -64.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -677.961561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.961561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.961561 (E_RNA)
where:
Base-Base interactions energy: -451.166
where: short stacking energy: -206.094
Base-Backbone interact. energy: -1.326
local terms energy: -225.469630
where:
bonds (distance) C4'-P energy: -41.609
bonds (distance) P-C4' energy: -56.332
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -55.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -477.322342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.322342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.322342 (E_RNA)
where:
Base-Base interactions energy: -280.703
where: short stacking energy: -127.940
Base-Backbone interact. energy: -1.017
local terms energy: -195.601579
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -45.024
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -26.222
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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -230.375599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.375599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.375599 (E_RNA)
where:
Base-Base interactions energy: -89.103
where: short stacking energy: -82.273
Base-Backbone interact. energy: -2.062
local terms energy: -139.210637
where:
bonds (distance) C4'-P energy: -42.892
bonds (distance) P-C4' energy: -37.899
flat angles C4'-P-C4' energy: -43.404
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: 8.781
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: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -957.635671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.635671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.635671 (E_RNA)
where:
Base-Base interactions energy: -657.079
where: short stacking energy: -275.859
Base-Backbone interact. energy: -1.968
local terms energy: -298.588381
where:
bonds (distance) C4'-P energy: -56.206
bonds (distance) P-C4' energy: -58.582
flat angles C4'-P-C4' energy: -65.000
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -75.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -891.070474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.070474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.070474 (E_RNA)
where:
Base-Base interactions energy: -618.837
where: short stacking energy: -277.689
Base-Backbone interact. energy: 0.172
local terms energy: -272.404973
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -57.066
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -76.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -902.487853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.487853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.487853 (E_RNA)
where:
Base-Base interactions energy: -620.475
where: short stacking energy: -265.101
Base-Backbone interact. energy: -1.305
local terms energy: -280.707954
where:
bonds (distance) C4'-P energy: -49.104
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -64.517
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -82.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -871.714523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.714523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.714523 (E_RNA)
where:
Base-Base interactions energy: -589.065
where: short stacking energy: -263.682
Base-Backbone interact. energy: 0.681
local terms energy: -283.331356
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -83.861
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: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -785.037926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.037926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.037926 (E_RNA)
where:
Base-Base interactions energy: -542.535
where: short stacking energy: -235.163
Base-Backbone interact. energy: -1.522
local terms energy: -240.981223
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -48.477
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -27.434
tors. eta vs tors. theta energy: -68.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -765.606638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.606638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.606638 (E_RNA)
where:
Base-Base interactions energy: -526.753
where: short stacking energy: -220.342
Base-Backbone interact. energy: 0.472
local terms energy: -239.325810
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -34.525
tors. eta vs tors. theta energy: -60.280
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: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -773.033535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.033535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.033535 (E_RNA)
where:
Base-Base interactions energy: -524.726
where: short stacking energy: -214.094
Base-Backbone interact. energy: 2.634
local terms energy: -250.942499
where:
bonds (distance) C4'-P energy: -52.033
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -51.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -680.796799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.796799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.796799 (E_RNA)
where:
Base-Base interactions energy: -462.787
where: short stacking energy: -200.181
Base-Backbone interact. energy: -0.730
local terms energy: -217.279797
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -46.353
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -52.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -450.179045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.179045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.179045 (E_RNA)
where:
Base-Base interactions energy: -294.124
where: short stacking energy: -134.516
Base-Backbone interact. energy: -0.546
local terms energy: -155.508703
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -22.647
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: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -238.861459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.861459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.861459 (E_RNA)
where:
Base-Base interactions energy: -91.150
where: short stacking energy: -52.549
Base-Backbone interact. energy: -4.228
local terms energy: -143.482758
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: 11.892
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: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -957.428504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.428504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.428504 (E_RNA)
where:
Base-Base interactions energy: -650.848
where: short stacking energy: -278.594
Base-Backbone interact. energy: -1.443
local terms energy: -305.137118
where:
bonds (distance) C4'-P energy: -53.995
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -63.226
flat angles P-C4'-P energy: -48.506
tors. eta vs tors. theta energy: -82.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -884.917671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.917671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.917671 (E_RNA)
where:
Base-Base interactions energy: -614.796
where: short stacking energy: -276.889
Base-Backbone interact. energy: -1.010
local terms energy: -269.111955
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -50.840
flat angles C4'-P-C4' energy: -53.959
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -80.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -874.656797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.656797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.656797 (E_RNA)
where:
Base-Base interactions energy: -590.458
where: short stacking energy: -263.650
Base-Backbone interact. energy: -2.378
local terms energy: -281.821120
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -59.561
flat angles C4'-P-C4' energy: -61.774
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -74.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -880.890419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.890419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.890419 (E_RNA)
where:
Base-Base interactions energy: -621.482
where: short stacking energy: -271.799
Base-Backbone interact. energy: -0.383
local terms energy: -259.026089
where:
bonds (distance) C4'-P energy: -44.724
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -78.547
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: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -780.669026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.669026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.669026 (E_RNA)
where:
Base-Base interactions energy: -531.897
where: short stacking energy: -225.237
Base-Backbone interact. energy: -0.600
local terms energy: -248.171714
where:
bonds (distance) C4'-P energy: -48.997
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -68.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -759.013786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.013786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.013786 (E_RNA)
where:
Base-Base interactions energy: -512.375
where: short stacking energy: -228.313
Base-Backbone interact. energy: 0.290
local terms energy: -246.929227
where:
bonds (distance) C4'-P energy: -41.134
bonds (distance) P-C4' energy: -46.549
flat angles C4'-P-C4' energy: -55.673
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -61.713
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: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -747.043756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.043756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.043756 (E_RNA)
where:
Base-Base interactions energy: -498.937
where: short stacking energy: -213.201
Base-Backbone interact. energy: -0.318
local terms energy: -247.789032
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -41.571
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -65.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -694.135718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.135718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.135718 (E_RNA)
where:
Base-Base interactions energy: -469.211
where: short stacking energy: -188.848
Base-Backbone interact. energy: -0.297
local terms energy: -224.627658
where:
bonds (distance) C4'-P energy: -59.519
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -40.653
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -55.714
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: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -470.610697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.610697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.610697 (E_RNA)
where:
Base-Base interactions energy: -291.668
where: short stacking energy: -131.633
Base-Backbone interact. energy: 1.678
local terms energy: -180.620309
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -47.242
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -234.691470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.691470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.691470 (E_RNA)
where:
Base-Base interactions energy: -84.903
where: short stacking energy: -80.593
Base-Backbone interact. energy: -0.819
local terms energy: -148.969554
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -964.538770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.538770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.538770 (E_RNA)
where:
Base-Base interactions energy: -667.199
where: short stacking energy: -290.854
Base-Backbone interact. energy: -1.644
local terms energy: -295.696216
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -64.325
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: -86.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -868.713216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.713216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.713216 (E_RNA)
where:
Base-Base interactions energy: -600.468
where: short stacking energy: -257.086
Base-Backbone interact. energy: -0.209
local terms energy: -268.036393
where:
bonds (distance) C4'-P energy: -51.148
bonds (distance) P-C4' energy: -54.890
flat angles C4'-P-C4' energy: -54.834
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -65.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -870.002867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.002867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.002867 (E_RNA)
where:
Base-Base interactions energy: -585.655
where: short stacking energy: -259.436
Base-Backbone interact. energy: 1.102
local terms energy: -285.450429
where:
bonds (distance) C4'-P energy: -55.109
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -76.983
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -884.386365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.386365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.386365 (E_RNA)
where:
Base-Base interactions energy: -619.284
where: short stacking energy: -265.721
Base-Backbone interact. energy: 0.484
local terms energy: -265.585985
where:
bonds (distance) C4'-P energy: -43.431
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: -77.047
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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -777.617422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.617422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.617422 (E_RNA)
where:
Base-Base interactions energy: -513.531
where: short stacking energy: -216.226
Base-Backbone interact. energy: -1.926
local terms energy: -262.160100
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -56.015
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -68.736
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: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -759.648794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.648794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.648794 (E_RNA)
where:
Base-Base interactions energy: -516.351
where: short stacking energy: -227.800
Base-Backbone interact. energy: -0.036
local terms energy: -243.262005
where:
bonds (distance) C4'-P energy: -53.145
bonds (distance) P-C4' energy: -46.809
flat angles C4'-P-C4' energy: -46.828
flat angles P-C4'-P energy: -35.843
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: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -762.877664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.877664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.877664 (E_RNA)
where:
Base-Base interactions energy: -513.252
where: short stacking energy: -228.879
Base-Backbone interact. energy: -0.145
local terms energy: -249.480032
where:
bonds (distance) C4'-P energy: -44.955
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -62.694
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: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -718.874266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.874266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.874266 (E_RNA)
where:
Base-Base interactions energy: -494.448
where: short stacking energy: -193.401
Base-Backbone interact. energy: -1.069
local terms energy: -223.357552
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -38.167
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -56.989
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: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -435.859420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.859420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.859420 (E_RNA)
where:
Base-Base interactions energy: -261.520
where: short stacking energy: -116.420
Base-Backbone interact. energy: -1.064
local terms energy: -173.275653
where:
bonds (distance) C4'-P energy: -44.604
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -32.743
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -235.655352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.655352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.655352 (E_RNA)
where:
Base-Base interactions energy: -80.437
where: short stacking energy: -73.496
Base-Backbone interact. energy: 0.104
local terms energy: -155.322639
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -56.280
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -963.897084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.897084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.897084 (E_RNA)
where:
Base-Base interactions energy: -672.059
where: short stacking energy: -298.869
Base-Backbone interact. energy: 1.331
local terms energy: -293.169509
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -51.158
flat angles C4'-P-C4' energy: -63.486
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -91.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -903.785985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.785985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.785985 (E_RNA)
where:
Base-Base interactions energy: -622.176
where: short stacking energy: -277.227
Base-Backbone interact. energy: 0.277
local terms energy: -281.887192
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -55.609
flat angles C4'-P-C4' energy: -55.375
flat angles P-C4'-P energy: -43.493
tors. eta vs tors. theta energy: -80.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -937.101841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.101841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.101841 (E_RNA)
where:
Base-Base interactions energy: -641.690
where: short stacking energy: -275.843
Base-Backbone interact. energy: -0.355
local terms energy: -295.056675
where:
bonds (distance) C4'-P energy: -48.613
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -85.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -841.025642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.025642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.025642 (E_RNA)
where:
Base-Base interactions energy: -571.378
where: short stacking energy: -266.343
Base-Backbone interact. energy: -0.345
local terms energy: -269.303199
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -58.432
flat angles P-C4'-P energy: -36.711
tors. eta vs tors. theta energy: -77.857
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: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -798.054997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.054997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.054997 (E_RNA)
where:
Base-Base interactions energy: -541.383
where: short stacking energy: -211.693
Base-Backbone interact. energy: -1.596
local terms energy: -255.075806
where:
bonds (distance) C4'-P energy: -46.617
bonds (distance) P-C4' energy: -55.087
flat angles C4'-P-C4' energy: -54.750
flat angles P-C4'-P energy: -37.024
tors. eta vs tors. theta energy: -61.598
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: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -770.803468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.803468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.803468 (E_RNA)
where:
Base-Base interactions energy: -531.561
where: short stacking energy: -228.783
Base-Backbone interact. energy: -1.112
local terms energy: -238.130668
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -41.336
flat angles C4'-P-C4' energy: -54.570
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -62.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -732.718424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.718424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.718424 (E_RNA)
where:
Base-Base interactions energy: -499.482
where: short stacking energy: -219.245
Base-Backbone interact. energy: -0.783
local terms energy: -232.454103
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -41.018
flat angles C4'-P-C4' energy: -55.182
flat angles P-C4'-P energy: -34.465
tors. eta vs tors. theta energy: -62.561
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: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -699.109437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.109437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.109437 (E_RNA)
where:
Base-Base interactions energy: -484.463
where: short stacking energy: -202.783
Base-Backbone interact. energy: -0.459
local terms energy: -214.187753
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -50.262
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -50.294
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: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -416.033325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.033325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.033325 (E_RNA)
where:
Base-Base interactions energy: -237.969
where: short stacking energy: -128.808
Base-Backbone interact. energy: -1.419
local terms energy: -176.645814
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -235.183818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.183818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.183818 (E_RNA)
where:
Base-Base interactions energy: -76.579
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.740
local terms energy: -157.864566
where:
bonds (distance) C4'-P energy: -52.022
bonds (distance) P-C4' energy: -42.243
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -29.643
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -967.032289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.032289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.032289 (E_RNA)
where:
Base-Base interactions energy: -664.579
where: short stacking energy: -293.684
Base-Backbone interact. energy: -0.623
local terms energy: -301.830663
where:
bonds (distance) C4'-P energy: -60.071
bonds (distance) P-C4' energy: -53.147
flat angles C4'-P-C4' energy: -61.734
flat angles P-C4'-P energy: -42.704
tors. eta vs tors. theta energy: -84.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -960.766942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.766942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.766942 (E_RNA)
where:
Base-Base interactions energy: -658.663
where: short stacking energy: -288.786
Base-Backbone interact. energy: -0.915
local terms energy: -301.188538
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -63.183
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -36.904
tors. eta vs tors. theta energy: -91.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -865.447570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.447570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.447570 (E_RNA)
where:
Base-Base interactions energy: -594.699
where: short stacking energy: -251.264
Base-Backbone interact. energy: -1.046
local terms energy: -269.702988
where:
bonds (distance) C4'-P energy: -48.664
bonds (distance) P-C4' energy: -58.447
flat angles C4'-P-C4' energy: -54.500
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -72.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -835.371675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.371675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.371675 (E_RNA)
where:
Base-Base interactions energy: -560.426
where: short stacking energy: -251.733
Base-Backbone interact. energy: -0.838
local terms energy: -274.107541
where:
bonds (distance) C4'-P energy: -52.815
bonds (distance) P-C4' energy: -42.560
flat angles C4'-P-C4' energy: -61.770
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -72.852
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: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -777.662954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.662954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.662954 (E_RNA)
where:
Base-Base interactions energy: -548.726
where: short stacking energy: -234.275
Base-Backbone interact. energy: 0.529
local terms energy: -229.465632
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -54.020
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -59.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -735.243888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.243888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.243888 (E_RNA)
where:
Base-Base interactions energy: -510.034
where: short stacking energy: -211.958
Base-Backbone interact. energy: -1.062
local terms energy: -224.147608
where:
bonds (distance) C4'-P energy: -44.246
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -34.989
tors. eta vs tors. theta energy: -54.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -802.345750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.345750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.345750 (E_RNA)
where:
Base-Base interactions energy: -540.940
where: short stacking energy: -252.291
Base-Backbone interact. energy: -1.008
local terms energy: -260.397837
where:
bonds (distance) C4'-P energy: -44.348
bonds (distance) P-C4' energy: -49.296
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -79.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -685.533421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.533421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.533421 (E_RNA)
where:
Base-Base interactions energy: -478.693
where: short stacking energy: -207.277
Base-Backbone interact. energy: -1.738
local terms energy: -205.102149
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -47.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -378.043766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.043766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.043766 (E_RNA)
where:
Base-Base interactions energy: -214.101
where: short stacking energy: -121.990
Base-Backbone interact. energy: -1.171
local terms energy: -162.772197
where:
bonds (distance) C4'-P energy: -44.890
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -35.902
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -265.546794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.546794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.546794 (E_RNA)
where:
Base-Base interactions energy: -120.180
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.895
local terms energy: -144.471742
where:
bonds (distance) C4'-P energy: -50.025
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: 5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -951.313994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.313994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.313994 (E_RNA)
where:
Base-Base interactions energy: -667.582
where: short stacking energy: -279.296
Base-Backbone interact. energy: -0.053
local terms energy: -283.679667
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -63.543
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: -88.699
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: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -948.994801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.994801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.994801 (E_RNA)
where:
Base-Base interactions energy: -651.900
where: short stacking energy: -285.338
Base-Backbone interact. energy: -1.309
local terms energy: -295.786539
where:
bonds (distance) C4'-P energy: -54.089
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -86.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -859.355843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.355843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.355843 (E_RNA)
where:
Base-Base interactions energy: -582.592
where: short stacking energy: -252.898
Base-Backbone interact. energy: -1.081
local terms energy: -275.682314
where:
bonds (distance) C4'-P energy: -47.043
bonds (distance) P-C4' energy: -56.363
flat angles C4'-P-C4' energy: -58.370
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -71.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -830.709128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.709128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.709128 (E_RNA)
where:
Base-Base interactions energy: -569.724
where: short stacking energy: -245.344
Base-Backbone interact. energy: 3.234
local terms energy: -264.219704
where:
bonds (distance) C4'-P energy: -42.216
bonds (distance) P-C4' energy: -50.041
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -67.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -791.048698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.048698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.048698 (E_RNA)
where:
Base-Base interactions energy: -536.509
where: short stacking energy: -228.104
Base-Backbone interact. energy: -0.833
local terms energy: -253.706796
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -53.696
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -62.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -748.257623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.257623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.257623 (E_RNA)
where:
Base-Base interactions energy: -504.469
where: short stacking energy: -214.371
Base-Backbone interact. energy: -0.836
local terms energy: -242.952428
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -49.092
flat angles C4'-P-C4' energy: -51.547
flat angles P-C4'-P energy: -36.099
tors. eta vs tors. theta energy: -65.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -735.952662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.952662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.952662 (E_RNA)
where:
Base-Base interactions energy: -505.549
where: short stacking energy: -218.098
Base-Backbone interact. energy: -2.336
local terms energy: -228.067571
where:
bonds (distance) C4'-P energy: -37.948
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -50.165
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -60.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -713.802617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.802617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.802617 (E_RNA)
where:
Base-Base interactions energy: -490.316
where: short stacking energy: -193.639
Base-Backbone interact. energy: -1.110
local terms energy: -222.376937
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -51.164
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -48.590
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: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -325.750687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.750687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.750687 (E_RNA)
where:
Base-Base interactions energy: -151.379
where: short stacking energy: -81.193
Base-Backbone interact. energy: 0.956
local terms energy: -175.327689
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -44.968
flat angles C4'-P-C4' energy: -47.071
flat angles P-C4'-P energy: -27.072
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: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -238.354190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.354190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.354190 (E_RNA)
where:
Base-Base interactions energy: -103.678
where: short stacking energy: -61.281
Base-Backbone interact. energy: 1.629
local terms energy: -136.305512
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: 11.572
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: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -957.676379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.676379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.676379 (E_RNA)
where:
Base-Base interactions energy: -665.502
where: short stacking energy: -293.501
Base-Backbone interact. energy: -0.786
local terms energy: -291.388611
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -62.722
flat angles P-C4'-P energy: -46.286
tors. eta vs tors. theta energy: -86.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -939.833395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.833395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.833395 (E_RNA)
where:
Base-Base interactions energy: -653.285
where: short stacking energy: -287.836
Base-Backbone interact. energy: -0.856
local terms energy: -285.692642
where:
bonds (distance) C4'-P energy: -60.408
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -60.663
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -79.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -873.755211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.755211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.755211 (E_RNA)
where:
Base-Base interactions energy: -602.398
where: short stacking energy: -267.441
Base-Backbone interact. energy: -2.598
local terms energy: -268.758889
where:
bonds (distance) C4'-P energy: -50.846
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -39.862
tors. eta vs tors. theta energy: -74.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -846.269926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.269926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.269926 (E_RNA)
where:
Base-Base interactions energy: -581.327
where: short stacking energy: -269.963
Base-Backbone interact. energy: -1.894
local terms energy: -263.049209
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -57.142
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -77.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -791.684715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.684715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.684715 (E_RNA)
where:
Base-Base interactions energy: -533.682
where: short stacking energy: -218.019
Base-Backbone interact. energy: -0.630
local terms energy: -257.373009
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -43.198
flat angles C4'-P-C4' energy: -57.745
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -62.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -777.045432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.045432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.045432 (E_RNA)
where:
Base-Base interactions energy: -530.426
where: short stacking energy: -247.213
Base-Backbone interact. energy: -0.877
local terms energy: -245.743136
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -52.422
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -72.300
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: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -748.982255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.982255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.982255 (E_RNA)
where:
Base-Base interactions energy: -518.893
where: short stacking energy: -200.117
Base-Backbone interact. energy: -1.130
local terms energy: -228.959369
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -43.344
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -40.077
tors. eta vs tors. theta energy: -51.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -685.262177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.262177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.262177 (E_RNA)
where:
Base-Base interactions energy: -480.924
where: short stacking energy: -194.583
Base-Backbone interact. energy: -0.814
local terms energy: -203.524034
where:
bonds (distance) C4'-P energy: -27.752
bonds (distance) P-C4' energy: -52.610
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -46.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -318.568664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.568664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.568664 (E_RNA)
where:
Base-Base interactions energy: -157.907
where: short stacking energy: -90.146
Base-Backbone interact. energy: 0.270
local terms energy: -160.931292
where:
bonds (distance) C4'-P energy: -46.543
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -44.385
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -228.139904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.139904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.139904 (E_RNA)
where:
Base-Base interactions energy: -76.663
where: short stacking energy: -55.979
Base-Backbone interact. energy: 0.989
local terms energy: -152.465700
where:
bonds (distance) C4'-P energy: -41.586
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -38.365
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: 10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -955.810554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.810554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.810554 (E_RNA)
where:
Base-Base interactions energy: -662.092
where: short stacking energy: -284.530
Base-Backbone interact. energy: -1.552
local terms energy: -292.167073
where:
bonds (distance) C4'-P energy: -50.984
bonds (distance) P-C4' energy: -50.762
flat angles C4'-P-C4' energy: -61.113
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -81.700
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: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -963.551304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.551304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.551304 (E_RNA)
where:
Base-Base interactions energy: -677.782
where: short stacking energy: -286.842
Base-Backbone interact. energy: -0.874
local terms energy: -284.895351
where:
bonds (distance) C4'-P energy: -46.690
bonds (distance) P-C4' energy: -56.153
flat angles C4'-P-C4' energy: -53.694
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -87.700
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -877.488979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.488979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.488979 (E_RNA)
where:
Base-Base interactions energy: -591.459
where: short stacking energy: -273.161
Base-Backbone interact. energy: -0.502
local terms energy: -285.527259
where:
bonds (distance) C4'-P energy: -52.375
bonds (distance) P-C4' energy: -49.475
flat angles C4'-P-C4' energy: -52.453
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: -86.094
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: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -838.252879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.252879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.252879 (E_RNA)
where:
Base-Base interactions energy: -562.083
where: short stacking energy: -248.442
Base-Backbone interact. energy: -0.815
local terms energy: -275.354483
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -51.597
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -75.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -747.074022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.074022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.074022 (E_RNA)
where:
Base-Base interactions energy: -522.188
where: short stacking energy: -224.303
Base-Backbone interact. energy: 0.378
local terms energy: -225.264542
where:
bonds (distance) C4'-P energy: -39.399
bonds (distance) P-C4' energy: -55.203
flat angles C4'-P-C4' energy: -53.653
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -50.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -777.457959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.457959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.457959 (E_RNA)
where:
Base-Base interactions energy: -533.165
where: short stacking energy: -230.755
Base-Backbone interact. energy: 2.370
local terms energy: -246.662643
where:
bonds (distance) C4'-P energy: -46.492
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -64.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -770.561485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.561485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.561485 (E_RNA)
where:
Base-Base interactions energy: -519.926
where: short stacking energy: -211.863
Base-Backbone interact. energy: -1.323
local terms energy: -249.312696
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -56.832
flat angles C4'-P-C4' energy: -52.020
flat angles P-C4'-P energy: -31.515
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: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -715.577508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.577508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.577508 (E_RNA)
where:
Base-Base interactions energy: -490.452
where: short stacking energy: -210.931
Base-Backbone interact. energy: -1.204
local terms energy: -223.921134
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -50.979
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -31.979
tors. eta vs tors. theta energy: -46.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -343.549945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.549945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.549945 (E_RNA)
where:
Base-Base interactions energy: -189.793
where: short stacking energy: -92.915
Base-Backbone interact. energy: -0.633
local terms energy: -153.124113
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -47.898
flat angles C4'-P-C4' energy: -32.671
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -230.578362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.578362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.578362 (E_RNA)
where:
Base-Base interactions energy: -92.652
where: short stacking energy: -84.879
Base-Backbone interact. energy: 1.639
local terms energy: -139.565323
where:
bonds (distance) C4'-P energy: -46.183
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: 2.795
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: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -960.489953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.489953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.489953 (E_RNA)
where:
Base-Base interactions energy: -668.822
where: short stacking energy: -293.817
Base-Backbone interact. energy: -0.408
local terms energy: -291.260149
where:
bonds (distance) C4'-P energy: -49.776
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -87.092
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: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -942.316867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.316867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.316867 (E_RNA)
where:
Base-Base interactions energy: -654.145
where: short stacking energy: -274.840
Base-Backbone interact. energy: 0.221
local terms energy: -288.392431
where:
bonds (distance) C4'-P energy: -49.037
bonds (distance) P-C4' energy: -51.631
flat angles C4'-P-C4' energy: -57.801
flat angles P-C4'-P energy: -46.631
tors. eta vs tors. theta energy: -83.292
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: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -862.233281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.233281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.233281 (E_RNA)
where:
Base-Base interactions energy: -592.464
where: short stacking energy: -264.303
Base-Backbone interact. energy: -0.300
local terms energy: -269.468947
where:
bonds (distance) C4'-P energy: -56.232
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -47.087
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -79.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -837.694911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.694911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.694911 (E_RNA)
where:
Base-Base interactions energy: -580.948
where: short stacking energy: -247.228
Base-Backbone interact. energy: -0.589
local terms energy: -256.158238
where:
bonds (distance) C4'-P energy: -41.632
bonds (distance) P-C4' energy: -45.171
flat angles C4'-P-C4' energy: -53.961
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -77.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -828.994581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.994581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.994581 (E_RNA)
where:
Base-Base interactions energy: -591.929
where: short stacking energy: -232.211
Base-Backbone interact. energy: -0.025
local terms energy: -237.040764
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -56.048
flat angles C4'-P-C4' energy: -51.255
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -56.834
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: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -781.983951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.983951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.983951 (E_RNA)
where:
Base-Base interactions energy: -544.590
where: short stacking energy: -227.851
Base-Backbone interact. energy: 1.266
local terms energy: -238.659705
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -49.683
flat angles P-C4'-P energy: -35.903
tors. eta vs tors. theta energy: -65.592
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: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -760.498230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.498230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.498230 (E_RNA)
where:
Base-Base interactions energy: -522.302
where: short stacking energy: -208.134
Base-Backbone interact. energy: -0.327
local terms energy: -237.868576
where:
bonds (distance) C4'-P energy: -44.666
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -48.773
flat angles P-C4'-P energy: -29.255
tors. eta vs tors. theta energy: -62.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -752.654899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.654899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.654899 (E_RNA)
where:
Base-Base interactions energy: -513.527
where: short stacking energy: -204.431
Base-Backbone interact. energy: -0.383
local terms energy: -238.744465
where:
bonds (distance) C4'-P energy: -37.213
bonds (distance) P-C4' energy: -50.288
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -60.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -375.581265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.581265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.581265 (E_RNA)
where:
Base-Base interactions energy: -232.288
where: short stacking energy: -103.122
Base-Backbone interact. energy: -0.717
local terms energy: -142.576652
where:
bonds (distance) C4'-P energy: -43.460
bonds (distance) P-C4' energy: -36.599
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -226.310956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.310956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.310956 (E_RNA)
where:
Base-Base interactions energy: -76.075
where: short stacking energy: -53.076
Base-Backbone interact. energy: -0.615
local terms energy: -149.621172
where:
bonds (distance) C4'-P energy: -48.940
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -41.286
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: 4.677
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: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -973.445134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.445134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.445134 (E_RNA)
where:
Base-Base interactions energy: -678.405
where: short stacking energy: -287.091
Base-Backbone interact. energy: -2.002
local terms energy: -293.038628
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -62.614
flat angles P-C4'-P energy: -43.258
tors. eta vs tors. theta energy: -84.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -961.180150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.180150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.180150 (E_RNA)
where:
Base-Base interactions energy: -653.095
where: short stacking energy: -292.920
Base-Backbone interact. energy: -0.085
local terms energy: -307.999398
where:
bonds (distance) C4'-P energy: -52.469
bonds (distance) P-C4' energy: -56.304
flat angles C4'-P-C4' energy: -65.965
flat angles P-C4'-P energy: -46.303
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: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -870.226723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.226723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.226723 (E_RNA)
where:
Base-Base interactions energy: -583.809
where: short stacking energy: -251.442
Base-Backbone interact. energy: 0.569
local terms energy: -286.986739
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -61.900
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -72.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -855.994649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.994649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.994649 (E_RNA)
where:
Base-Base interactions energy: -573.762
where: short stacking energy: -266.384
Base-Backbone interact. energy: -0.202
local terms energy: -282.029806
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -65.232
flat angles P-C4'-P energy: -33.320
tors. eta vs tors. theta energy: -85.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -828.312676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.312676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.312676 (E_RNA)
where:
Base-Base interactions energy: -591.247
where: short stacking energy: -232.568
Base-Backbone interact. energy: -0.025
local terms energy: -237.040764
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -56.048
flat angles C4'-P-C4' energy: -51.255
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -56.834
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: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -800.061065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.061065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.061065 (E_RNA)
where:
Base-Base interactions energy: -540.393
where: short stacking energy: -257.140
Base-Backbone interact. energy: -1.018
local terms energy: -258.650212
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -51.414
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -36.845
tors. eta vs tors. theta energy: -69.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -768.720961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.720961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.720961 (E_RNA)
where:
Base-Base interactions energy: -525.254
where: short stacking energy: -227.519
Base-Backbone interact. energy: -0.306
local terms energy: -243.161249
where:
bonds (distance) C4'-P energy: -43.796
bonds (distance) P-C4' energy: -39.628
flat angles C4'-P-C4' energy: -55.680
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -71.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -736.392122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.392122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.392122 (E_RNA)
where:
Base-Base interactions energy: -503.583
where: short stacking energy: -218.189
Base-Backbone interact. energy: 0.136
local terms energy: -232.945043
where:
bonds (distance) C4'-P energy: -54.776
bonds (distance) P-C4' energy: -47.793
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -18.138
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: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -365.873155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.873155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.873155 (E_RNA)
where:
Base-Base interactions energy: -199.706
where: short stacking energy: -105.518
Base-Backbone interact. energy: -1.158
local terms energy: -165.009314
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -239.312114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.312114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.312114 (E_RNA)
where:
Base-Base interactions energy: -77.384
where: short stacking energy: -77.865
Base-Backbone interact. energy: 0.305
local terms energy: -162.232862
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -49.268
flat angles P-C4'-P energy: -34.459
tors. eta vs tors. theta energy: -3.769
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: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -965.485399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.485399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.485399 (E_RNA)
where:
Base-Base interactions energy: -658.168
where: short stacking energy: -279.425
Base-Backbone interact. energy: -0.331
local terms energy: -306.986381
where:
bonds (distance) C4'-P energy: -55.780
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -66.160
flat angles P-C4'-P energy: -41.490
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: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -960.051638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.051638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.051638 (E_RNA)
where:
Base-Base interactions energy: -665.771
where: short stacking energy: -291.338
Base-Backbone interact. energy: -0.845
local terms energy: -293.435111
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -61.723
flat angles C4'-P-C4' energy: -51.970
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -92.607
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: 391
Temperature: 1.000000
Total energy: -869.930181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.930181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.930181 (E_RNA)
where:
Base-Base interactions energy: -586.293
where: short stacking energy: -259.507
Base-Backbone interact. energy: -0.796
local terms energy: -282.840890
where:
bonds (distance) C4'-P energy: -53.032
bonds (distance) P-C4' energy: -51.475
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -41.600
tors. eta vs tors. theta energy: -75.977
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: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -823.494229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.494229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.494229 (E_RNA)
where:
Base-Base interactions energy: -554.546
where: short stacking energy: -232.601
Base-Backbone interact. energy: -0.886
local terms energy: -268.061565
where:
bonds (distance) C4'-P energy: -52.523
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -36.194
tors. eta vs tors. theta energy: -62.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -828.504983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.504983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.504983 (E_RNA)
where:
Base-Base interactions energy: -577.198
where: short stacking energy: -249.092
Base-Backbone interact. energy: 1.966
local terms energy: -253.272445
where:
bonds (distance) C4'-P energy: -42.380
bonds (distance) P-C4' energy: -52.106
flat angles C4'-P-C4' energy: -57.044
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -67.687
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: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -786.923351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.923351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.923351 (E_RNA)
where:
Base-Base interactions energy: -531.509
where: short stacking energy: -229.832
Base-Backbone interact. energy: 4.004
local terms energy: -259.418383
where:
bonds (distance) C4'-P energy: -47.163
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -52.946
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -68.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -747.593851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.593851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.593851 (E_RNA)
where:
Base-Base interactions energy: -529.876
where: short stacking energy: -218.171
Base-Backbone interact. energy: -1.334
local terms energy: -216.384361
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -43.362
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -35.395
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: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -718.969162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.969162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.969162 (E_RNA)
where:
Base-Base interactions energy: -481.936
where: short stacking energy: -197.388
Base-Backbone interact. energy: -2.530
local terms energy: -234.503499
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -57.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -368.554737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.554737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.554737 (E_RNA)
where:
Base-Base interactions energy: -206.438
where: short stacking energy: -121.070
Base-Backbone interact. energy: 2.753
local terms energy: -164.870242
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -39.878
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -238.491937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.491937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.491937 (E_RNA)
where:
Base-Base interactions energy: -102.091
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.247
local terms energy: -136.153906
where:
bonds (distance) C4'-P energy: -39.866
bonds (distance) P-C4' energy: -44.862
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: 12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -975.940104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.940104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.940104 (E_RNA)
where:
Base-Base interactions energy: -667.257
where: short stacking energy: -284.320
Base-Backbone interact. energy: -0.689
local terms energy: -307.994306
where:
bonds (distance) C4'-P energy: -55.942
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -59.476
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -88.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -964.797186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.797186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.797186 (E_RNA)
where:
Base-Base interactions energy: -671.307
where: short stacking energy: -295.165
Base-Backbone interact. energy: -0.871
local terms energy: -292.618967
where:
bonds (distance) C4'-P energy: -49.661
bonds (distance) P-C4' energy: -55.692
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -44.782
tors. eta vs tors. theta energy: -83.393
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: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -885.203630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.203630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.203630 (E_RNA)
where:
Base-Base interactions energy: -601.438
where: short stacking energy: -243.316
Base-Backbone interact. energy: 0.442
local terms energy: -284.206758
where:
bonds (distance) C4'-P energy: -52.091
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -77.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -852.569285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.569285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.569285 (E_RNA)
where:
Base-Base interactions energy: -578.900
where: short stacking energy: -250.489
Base-Backbone interact. energy: -0.537
local terms energy: -273.132815
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -39.579
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -42.601
tors. eta vs tors. theta energy: -78.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -847.620562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.620562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.620562 (E_RNA)
where:
Base-Base interactions energy: -575.618
where: short stacking energy: -262.917
Base-Backbone interact. energy: -2.253
local terms energy: -269.749437
where:
bonds (distance) C4'-P energy: -48.362
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -54.707
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -81.223
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: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -794.504672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.504672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.504672 (E_RNA)
where:
Base-Base interactions energy: -544.153
where: short stacking energy: -229.265
Base-Backbone interact. energy: 0.629
local terms energy: -250.981115
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -43.389
flat angles C4'-P-C4' energy: -60.067
flat angles P-C4'-P energy: -44.462
tors. eta vs tors. theta energy: -62.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -761.821609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.821609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.821609 (E_RNA)
where:
Base-Base interactions energy: -531.399
where: short stacking energy: -222.840
Base-Backbone interact. energy: -0.816
local terms energy: -229.607021
where:
bonds (distance) C4'-P energy: -43.777
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -29.922
tors. eta vs tors. theta energy: -58.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -697.255232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.255232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.255232 (E_RNA)
where:
Base-Base interactions energy: -479.413
where: short stacking energy: -212.579
Base-Backbone interact. energy: -0.582
local terms energy: -217.259814
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -45.234
flat angles C4'-P-C4' energy: -55.380
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -51.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -387.490354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.490354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.490354 (E_RNA)
where:
Base-Base interactions energy: -212.913
where: short stacking energy: -104.680
Base-Backbone interact. energy: 0.678
local terms energy: -175.255612
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -40.655
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -12.518
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: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -229.549362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.549362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.549362 (E_RNA)
where:
Base-Base interactions energy: -86.110
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.810
local terms energy: -142.629201
where:
bonds (distance) C4'-P energy: -45.690
bonds (distance) P-C4' energy: -48.320
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -23.054
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: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -971.260297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.260297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.260297 (E_RNA)
where:
Base-Base interactions energy: -668.202
where: short stacking energy: -291.640
Base-Backbone interact. energy: -0.752
local terms energy: -302.306600
where:
bonds (distance) C4'-P energy: -58.685
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -62.127
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -91.796
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: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -944.036350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.036350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.036350 (E_RNA)
where:
Base-Base interactions energy: -648.103
where: short stacking energy: -284.404
Base-Backbone interact. energy: -1.609
local terms energy: -294.324667
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -85.576
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -875.225561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.225561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.225561 (E_RNA)
where:
Base-Base interactions energy: -599.010
where: short stacking energy: -259.302
Base-Backbone interact. energy: 0.196
local terms energy: -276.412020
where:
bonds (distance) C4'-P energy: -58.157
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -76.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -851.113293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.113293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.113293 (E_RNA)
where:
Base-Base interactions energy: -585.453
where: short stacking energy: -261.418
Base-Backbone interact. energy: -1.274
local terms energy: -264.386129
where:
bonds (distance) C4'-P energy: -45.357
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -78.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -796.724025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.724025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.724025 (E_RNA)
where:
Base-Base interactions energy: -544.098
where: short stacking energy: -243.507
Base-Backbone interact. energy: -0.327
local terms energy: -252.299070
where:
bonds (distance) C4'-P energy: -49.670
bonds (distance) P-C4' energy: -43.739
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -71.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -747.495722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.495722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.495722 (E_RNA)
where:
Base-Base interactions energy: -508.115
where: short stacking energy: -222.742
Base-Backbone interact. energy: 1.564
local terms energy: -240.944178
where:
bonds (distance) C4'-P energy: -48.947
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -55.450
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -63.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -784.348084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.348084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.348084 (E_RNA)
where:
Base-Base interactions energy: -540.583
where: short stacking energy: -240.249
Base-Backbone interact. energy: -0.479
local terms energy: -243.286019
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -49.301
flat angles C4'-P-C4' energy: -61.913
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -72.363
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: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -718.107496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.107496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.107496 (E_RNA)
where:
Base-Base interactions energy: -488.267
where: short stacking energy: -195.032
Base-Backbone interact. energy: -1.281
local terms energy: -228.559760
where:
bonds (distance) C4'-P energy: -44.570
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -51.178
flat angles P-C4'-P energy: -30.846
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: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -379.910508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.910508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.910508 (E_RNA)
where:
Base-Base interactions energy: -240.504
where: short stacking energy: -101.712
Base-Backbone interact. energy: -1.928
local terms energy: -137.479190
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -4.029
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: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -227.822799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.822799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.822799 (E_RNA)
where:
Base-Base interactions energy: -87.521
where: short stacking energy: -56.662
Base-Backbone interact. energy: -0.240
local terms energy: -140.061783
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -39.565
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: 16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -969.932265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.932265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.932265 (E_RNA)
where:
Base-Base interactions energy: -671.860
where: short stacking energy: -295.622
Base-Backbone interact. energy: -1.591
local terms energy: -296.480912
where:
bonds (distance) C4'-P energy: -41.986
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -64.653
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -92.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -934.767569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.767569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.767569 (E_RNA)
where:
Base-Base interactions energy: -671.787
where: short stacking energy: -281.164
Base-Backbone interact. energy: -1.762
local terms energy: -261.218418
where:
bonds (distance) C4'-P energy: -43.912
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -51.846
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -76.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -878.116429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.116429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.116429 (E_RNA)
where:
Base-Base interactions energy: -588.691
where: short stacking energy: -271.284
Base-Backbone interact. energy: -0.782
local terms energy: -288.644168
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -59.367
flat angles P-C4'-P energy: -42.320
tors. eta vs tors. theta energy: -75.659
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: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -858.514329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.514329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.514329 (E_RNA)
where:
Base-Base interactions energy: -595.472
where: short stacking energy: -255.395
Base-Backbone interact. energy: 0.808
local terms energy: -263.850283
where:
bonds (distance) C4'-P energy: -49.664
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -68.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -814.539661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.539661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.539661 (E_RNA)
where:
Base-Base interactions energy: -563.851
where: short stacking energy: -242.214
Base-Backbone interact. energy: -0.591
local terms energy: -250.097773
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -57.568
flat angles C4'-P-C4' energy: -54.045
flat angles P-C4'-P energy: -33.780
tors. eta vs tors. theta energy: -68.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -776.798915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.798915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.798915 (E_RNA)
where:
Base-Base interactions energy: -548.420
where: short stacking energy: -224.686
Base-Backbone interact. energy: 0.176
local terms energy: -228.554188
where:
bonds (distance) C4'-P energy: -45.164
bonds (distance) P-C4' energy: -40.196
flat angles C4'-P-C4' energy: -52.845
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -55.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -751.762591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.762591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.762591 (E_RNA)
where:
Base-Base interactions energy: -495.958
where: short stacking energy: -214.472
Base-Backbone interact. energy: 0.961
local terms energy: -256.765355
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -53.351
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -58.837
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: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -713.739553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.739553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.739553 (E_RNA)
where:
Base-Base interactions energy: -484.773
where: short stacking energy: -199.582
Base-Backbone interact. energy: 0.658
local terms energy: -229.625162
where:
bonds (distance) C4'-P energy: -38.910
bonds (distance) P-C4' energy: -41.278
flat angles C4'-P-C4' energy: -53.876
flat angles P-C4'-P energy: -39.626
tors. eta vs tors. theta energy: -55.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -373.662219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.662219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.662219 (E_RNA)
where:
Base-Base interactions energy: -212.081
where: short stacking energy: -88.578
Base-Backbone interact. energy: -0.993
local terms energy: -160.588783
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -30.525
tors. eta vs tors. theta energy: -6.411
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: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -227.578032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.578032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578032 (E_RNA)
where:
Base-Base interactions energy: -68.704
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.258
local terms energy: -158.616541
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -46.217
flat angles C4'-P-C4' energy: -46.597
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -0.400
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: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -970.009238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.009238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.009238 (E_RNA)
where:
Base-Base interactions energy: -661.401
where: short stacking energy: -292.362
Base-Backbone interact. energy: -1.882
local terms energy: -306.726269
where:
bonds (distance) C4'-P energy: -52.015
bonds (distance) P-C4' energy: -56.299
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -91.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -931.901658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.901658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.901658 (E_RNA)
where:
Base-Base interactions energy: -640.433
where: short stacking energy: -270.818
Base-Backbone interact. energy: -1.850
local terms energy: -289.618775
where:
bonds (distance) C4'-P energy: -53.850
bonds (distance) P-C4' energy: -50.046
flat angles C4'-P-C4' energy: -63.712
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -80.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -881.145990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.145990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.145990 (E_RNA)
where:
Base-Base interactions energy: -602.179
where: short stacking energy: -264.058
Base-Backbone interact. energy: -0.690
local terms energy: -278.276686
where:
bonds (distance) C4'-P energy: -57.498
bonds (distance) P-C4' energy: -52.391
flat angles C4'-P-C4' energy: -55.407
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -76.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -860.332055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.332055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.332055 (E_RNA)
where:
Base-Base interactions energy: -594.979
where: short stacking energy: -245.486
Base-Backbone interact. energy: -0.906
local terms energy: -264.446807
where:
bonds (distance) C4'-P energy: -55.184
bonds (distance) P-C4' energy: -45.442
flat angles C4'-P-C4' energy: -55.889
flat angles P-C4'-P energy: -35.829
tors. eta vs tors. theta energy: -72.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -819.928208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.928208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.928208 (E_RNA)
where:
Base-Base interactions energy: -564.901
where: short stacking energy: -250.489
Base-Backbone interact. energy: -0.935
local terms energy: -254.092201
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -52.418
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -29.344
tors. eta vs tors. theta energy: -77.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -776.317090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.317090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.317090 (E_RNA)
where:
Base-Base interactions energy: -536.347
where: short stacking energy: -214.511
Base-Backbone interact. energy: 0.672
local terms energy: -240.642151
where:
bonds (distance) C4'-P energy: -41.605
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -47.012
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -65.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -730.707287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.707287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.707287 (E_RNA)
where:
Base-Base interactions energy: -486.324
where: short stacking energy: -204.239
Base-Backbone interact. energy: -0.803
local terms energy: -243.580850
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -56.261
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: -52.602
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: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -698.269310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.269310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.269310 (E_RNA)
where:
Base-Base interactions energy: -480.360
where: short stacking energy: -206.068
Base-Backbone interact. energy: -1.217
local terms energy: -216.692253
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -53.772
flat angles C4'-P-C4' energy: -32.517
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: -52.869
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: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -399.758044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.758044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.758044 (E_RNA)
where:
Base-Base interactions energy: -234.362
where: short stacking energy: -111.585
Base-Backbone interact. energy: 1.482
local terms energy: -166.878601
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -16.214
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: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -223.004133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.004133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.004133 (E_RNA)
where:
Base-Base interactions energy: -76.465
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.735
local terms energy: -145.804435
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: 6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -952.177305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.177305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.177305 (E_RNA)
where:
Base-Base interactions energy: -658.921
where: short stacking energy: -276.533
Base-Backbone interact. energy: -0.940
local terms energy: -292.316037
where:
bonds (distance) C4'-P energy: -54.066
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -42.114
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: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -945.234975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.234975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.234975 (E_RNA)
where:
Base-Base interactions energy: -646.979
where: short stacking energy: -278.701
Base-Backbone interact. energy: -1.194
local terms energy: -297.062291
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -54.443
flat angles C4'-P-C4' energy: -64.296
flat angles P-C4'-P energy: -41.056
tors. eta vs tors. theta energy: -78.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -871.326413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.326413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.326413 (E_RNA)
where:
Base-Base interactions energy: -592.345
where: short stacking energy: -243.186
Base-Backbone interact. energy: -0.192
local terms energy: -278.789303
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -58.850
flat angles C4'-P-C4' energy: -58.232
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -77.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -858.205819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.205819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.205819 (E_RNA)
where:
Base-Base interactions energy: -585.405
where: short stacking energy: -257.174
Base-Backbone interact. energy: -0.983
local terms energy: -271.818139
where:
bonds (distance) C4'-P energy: -50.001
bonds (distance) P-C4' energy: -51.201
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -46.028
tors. eta vs tors. theta energy: -68.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -842.152052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.152052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.152052 (E_RNA)
where:
Base-Base interactions energy: -601.084
where: short stacking energy: -248.949
Base-Backbone interact. energy: 0.081
local terms energy: -241.149107
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -51.003
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: -69.630
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: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -779.158619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.158619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.158619 (E_RNA)
where:
Base-Base interactions energy: -526.603
where: short stacking energy: -221.120
Base-Backbone interact. energy: 0.465
local terms energy: -253.020062
where:
bonds (distance) C4'-P energy: -45.134
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -52.962
flat angles P-C4'-P energy: -41.684
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: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -742.132737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.132737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.132737 (E_RNA)
where:
Base-Base interactions energy: -490.844
where: short stacking energy: -210.253
Base-Backbone interact. energy: -0.194
local terms energy: -251.094369
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -55.074
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -33.310
tors. eta vs tors. theta energy: -55.848
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: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -743.876827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.876827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.876827 (E_RNA)
where:
Base-Base interactions energy: -500.723
where: short stacking energy: -206.116
Base-Backbone interact. energy: -0.761
local terms energy: -242.392586
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -61.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -402.153832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.153832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.153832 (E_RNA)
where:
Base-Base interactions energy: -226.464
where: short stacking energy: -101.431
Base-Backbone interact. energy: -0.687
local terms energy: -175.002393
where:
bonds (distance) C4'-P energy: -42.149
bonds (distance) P-C4' energy: -54.268
flat angles C4'-P-C4' energy: -42.975
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -273.815844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.815844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.815844 (E_RNA)
where:
Base-Base interactions energy: -87.774
where: short stacking energy: -64.798
Base-Backbone interact. energy: 0.358
local terms energy: -186.399756
where:
bonds (distance) C4'-P energy: -51.184
bonds (distance) P-C4' energy: -52.740
flat angles C4'-P-C4' energy: -52.562
flat angles P-C4'-P energy: -25.531
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -961.270757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.270757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.270757 (E_RNA)
where:
Base-Base interactions energy: -659.473
where: short stacking energy: -280.774
Base-Backbone interact. energy: -1.251
local terms energy: -300.547059
where:
bonds (distance) C4'-P energy: -58.886
bonds (distance) P-C4' energy: -53.972
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -85.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -947.307141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.307141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.307141 (E_RNA)
where:
Base-Base interactions energy: -654.875
where: short stacking energy: -280.427
Base-Backbone interact. energy: -2.082
local terms energy: -290.350207
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -81.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -860.739057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.739057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.739057 (E_RNA)
where:
Base-Base interactions energy: -590.850
where: short stacking energy: -255.441
Base-Backbone interact. energy: 0.402
local terms energy: -270.291003
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -53.993
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -81.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -869.895140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.895140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.895140 (E_RNA)
where:
Base-Base interactions energy: -585.478
where: short stacking energy: -258.586
Base-Backbone interact. energy: -0.854
local terms energy: -283.563115
where:
bonds (distance) C4'-P energy: -54.810
bonds (distance) P-C4' energy: -57.694
flat angles C4'-P-C4' energy: -57.325
flat angles P-C4'-P energy: -40.260
tors. eta vs tors. theta energy: -73.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -800.549069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.549069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.549069 (E_RNA)
where:
Base-Base interactions energy: -548.009
where: short stacking energy: -235.832
Base-Backbone interact. energy: 1.489
local terms energy: -254.028823
where:
bonds (distance) C4'-P energy: -46.621
bonds (distance) P-C4' energy: -48.679
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: -63.967
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: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -772.167714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.167714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.167714 (E_RNA)
where:
Base-Base interactions energy: -531.584
where: short stacking energy: -207.352
Base-Backbone interact. energy: 0.215
local terms energy: -240.799167
where:
bonds (distance) C4'-P energy: -44.542
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -37.973
tors. eta vs tors. theta energy: -56.076
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: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -752.150644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.150644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.150644 (E_RNA)
where:
Base-Base interactions energy: -502.455
where: short stacking energy: -216.733
Base-Backbone interact. energy: -0.624
local terms energy: -249.071894
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -45.635
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -59.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -688.258778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.258778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.258778 (E_RNA)
where:
Base-Base interactions energy: -475.054
where: short stacking energy: -220.946
Base-Backbone interact. energy: -1.577
local terms energy: -211.628006
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -41.603
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -31.460
tors. eta vs tors. theta energy: -61.672
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: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -409.812578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.812578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.812578 (E_RNA)
where:
Base-Base interactions energy: -229.952
where: short stacking energy: -115.739
Base-Backbone interact. energy: -0.350
local terms energy: -179.509718
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -51.003
flat angles C4'-P-C4' energy: -50.312
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -282.815458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.815458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.815458 (E_RNA)
where:
Base-Base interactions energy: -123.748
where: short stacking energy: -75.653
Base-Backbone interact. energy: -0.818
local terms energy: -158.249920
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -46.549
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -34.713
tors. eta vs tors. theta energy: 3.028
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: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -974.266429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.266429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.266429 (E_RNA)
where:
Base-Base interactions energy: -673.006
where: short stacking energy: -295.186
Base-Backbone interact. energy: -0.243
local terms energy: -301.017054
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -58.240
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -86.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -935.076781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.076781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.076781 (E_RNA)
where:
Base-Base interactions energy: -642.797
where: short stacking energy: -274.088
Base-Backbone interact. energy: 1.124
local terms energy: -293.404390
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -59.206
flat angles C4'-P-C4' energy: -59.360
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -83.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -861.511360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.511360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.511360 (E_RNA)
where:
Base-Base interactions energy: -612.107
where: short stacking energy: -250.025
Base-Backbone interact. energy: -0.206
local terms energy: -249.197907
where:
bonds (distance) C4'-P energy: -43.298
bonds (distance) P-C4' energy: -50.702
flat angles C4'-P-C4' energy: -55.814
flat angles P-C4'-P energy: -32.987
tors. eta vs tors. theta energy: -66.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -852.155594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.155594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.155594 (E_RNA)
where:
Base-Base interactions energy: -581.123
where: short stacking energy: -258.452
Base-Backbone interact. energy: -0.146
local terms energy: -270.887001
where:
bonds (distance) C4'-P energy: -48.629
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -60.759
flat angles P-C4'-P energy: -32.174
tors. eta vs tors. theta energy: -70.817
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: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -818.537411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.537411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.537411 (E_RNA)
where:
Base-Base interactions energy: -561.557
where: short stacking energy: -245.181
Base-Backbone interact. energy: 0.132
local terms energy: -257.112307
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -40.439
tors. eta vs tors. theta energy: -69.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -748.269144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.269144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.269144 (E_RNA)
where:
Base-Base interactions energy: -510.066
where: short stacking energy: -214.958
Base-Backbone interact. energy: 3.345
local terms energy: -241.547656
where:
bonds (distance) C4'-P energy: -52.159
bonds (distance) P-C4' energy: -43.618
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -56.159
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: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -740.559285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.559285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.559285 (E_RNA)
where:
Base-Base interactions energy: -502.284
where: short stacking energy: -218.783
Base-Backbone interact. energy: -1.488
local terms energy: -236.788042
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -53.841
flat angles P-C4'-P energy: -37.055
tors. eta vs tors. theta energy: -61.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -726.551187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.551187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.551187 (E_RNA)
where:
Base-Base interactions energy: -497.856
where: short stacking energy: -201.089
Base-Backbone interact. energy: -1.125
local terms energy: -227.570419
where:
bonds (distance) C4'-P energy: -36.694
bonds (distance) P-C4' energy: -54.437
flat angles C4'-P-C4' energy: -55.091
flat angles P-C4'-P energy: -29.506
tors. eta vs tors. theta energy: -51.841
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: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -393.212792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.212792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.212792 (E_RNA)
where:
Base-Base interactions energy: -220.063
where: short stacking energy: -123.859
Base-Backbone interact. energy: -0.888
local terms energy: -172.261224
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -42.744
flat angles P-C4'-P energy: -35.753
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -287.762727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.762727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.762727 (E_RNA)
where:
Base-Base interactions energy: -142.831
where: short stacking energy: -71.959
Base-Backbone interact. energy: -0.798
local terms energy: -144.133515
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -47.130
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: 7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -976.677395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.677395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.677395 (E_RNA)
where:
Base-Base interactions energy: -684.324
where: short stacking energy: -295.070
Base-Backbone interact. energy: 1.234
local terms energy: -293.587033
where:
bonds (distance) C4'-P energy: -46.677
bonds (distance) P-C4' energy: -55.632
flat angles C4'-P-C4' energy: -65.515
flat angles P-C4'-P energy: -46.426
tors. eta vs tors. theta energy: -79.336
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -893.471858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.471858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.471858 (E_RNA)
where:
Base-Base interactions energy: -610.042
where: short stacking energy: -268.506
Base-Backbone interact. energy: -0.410
local terms energy: -283.019760
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -54.450
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -35.128
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: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -919.788926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.788926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.788926 (E_RNA)
where:
Base-Base interactions energy: -648.337
where: short stacking energy: -271.247
Base-Backbone interact. energy: -0.396
local terms energy: -271.055684
where:
bonds (distance) C4'-P energy: -38.642
bonds (distance) P-C4' energy: -56.678
flat angles C4'-P-C4' energy: -53.190
flat angles P-C4'-P energy: -41.390
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: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -853.057690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.057690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.057690 (E_RNA)
where:
Base-Base interactions energy: -591.882
where: short stacking energy: -248.532
Base-Backbone interact. energy: 1.230
local terms energy: -262.405364
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -51.552
flat angles C4'-P-C4' energy: -56.621
flat angles P-C4'-P energy: -37.799
tors. eta vs tors. theta energy: -68.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -816.112313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.112313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.112313 (E_RNA)
where:
Base-Base interactions energy: -559.954
where: short stacking energy: -247.821
Base-Backbone interact. energy: -0.524
local terms energy: -255.634958
where:
bonds (distance) C4'-P energy: -40.200
bonds (distance) P-C4' energy: -49.049
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -73.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -770.921078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.921078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.921078 (E_RNA)
where:
Base-Base interactions energy: -524.464
where: short stacking energy: -242.229
Base-Backbone interact. energy: -0.471
local terms energy: -245.985134
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -55.974
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -65.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -758.731115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.731115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.731115 (E_RNA)
where:
Base-Base interactions energy: -524.057
where: short stacking energy: -219.630
Base-Backbone interact. energy: -0.506
local terms energy: -234.167842
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -51.219
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -54.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -713.575929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.575929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.575929 (E_RNA)
where:
Base-Base interactions energy: -474.706
where: short stacking energy: -194.451
Base-Backbone interact. energy: 2.449
local terms energy: -241.318772
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -42.310
flat angles C4'-P-C4' energy: -57.001
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -55.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -375.554639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.554639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.554639 (E_RNA)
where:
Base-Base interactions energy: -201.127
where: short stacking energy: -100.738
Base-Backbone interact. energy: 1.245
local terms energy: -175.673242
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -47.589
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -4.719
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -300.941515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.941515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.941515 (E_RNA)
where:
Base-Base interactions energy: -152.820
where: short stacking energy: -82.442
Base-Backbone interact. energy: 0.357
local terms energy: -148.478193
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -56.631
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -970.954204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.954204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.954204 (E_RNA)
where:
Base-Base interactions energy: -664.852
where: short stacking energy: -286.727
Base-Backbone interact. energy: -1.309
local terms energy: -304.792760
where:
bonds (distance) C4'-P energy: -57.783
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -59.423
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -89.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -893.574054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.574054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.574054 (E_RNA)
where:
Base-Base interactions energy: -622.167
where: short stacking energy: -269.115
Base-Backbone interact. energy: -0.427
local terms energy: -270.980101
where:
bonds (distance) C4'-P energy: -58.740
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -56.509
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -71.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -932.429675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.429675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.429675 (E_RNA)
where:
Base-Base interactions energy: -630.709
where: short stacking energy: -271.663
Base-Backbone interact. energy: -1.640
local terms energy: -300.080209
where:
bonds (distance) C4'-P energy: -54.067
bonds (distance) P-C4' energy: -61.493
flat angles C4'-P-C4' energy: -54.901
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -86.284
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: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -883.704330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.704330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.704330 (E_RNA)
where:
Base-Base interactions energy: -614.973
where: short stacking energy: -257.769
Base-Backbone interact. energy: 0.148
local terms energy: -268.880073
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -54.147
flat angles C4'-P-C4' energy: -63.310
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -73.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -849.615347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.615347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.615347 (E_RNA)
where:
Base-Base interactions energy: -578.215
where: short stacking energy: -258.329
Base-Backbone interact. energy: -1.663
local terms energy: -269.737273
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -80.557
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -745.499016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.499016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.499016 (E_RNA)
where:
Base-Base interactions energy: -521.298
where: short stacking energy: -221.564
Base-Backbone interact. energy: 0.420
local terms energy: -224.620929
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -41.392
flat angles C4'-P-C4' energy: -47.871
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -55.830
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: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -767.653039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.653039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.653039 (E_RNA)
where:
Base-Base interactions energy: -534.633
where: short stacking energy: -231.507
Base-Backbone interact. energy: -0.433
local terms energy: -232.587779
where:
bonds (distance) C4'-P energy: -38.967
bonds (distance) P-C4' energy: -38.782
flat angles C4'-P-C4' energy: -51.618
flat angles P-C4'-P energy: -35.366
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: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -731.295215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.295215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.295215 (E_RNA)
where:
Base-Base interactions energy: -499.228
where: short stacking energy: -208.885
Base-Backbone interact. energy: -1.170
local terms energy: -230.897030
where:
bonds (distance) C4'-P energy: -42.411
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -58.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -468.338243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.338243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.338243 (E_RNA)
where:
Base-Base interactions energy: -273.881
where: short stacking energy: -137.302
Base-Backbone interact. energy: -0.501
local terms energy: -193.956628
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -40.500
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -323.481225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.481225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.481225 (E_RNA)
where:
Base-Base interactions energy: -177.249
where: short stacking energy: -91.894
Base-Backbone interact. energy: 6.991
local terms energy: -153.223212
where:
bonds (distance) C4'-P energy: -41.370
bonds (distance) P-C4' energy: -43.508
flat angles C4'-P-C4' energy: -29.247
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -948.345376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.345376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.345376 (E_RNA)
where:
Base-Base interactions energy: -645.922
where: short stacking energy: -288.138
Base-Backbone interact. energy: -2.267
local terms energy: -300.156424
where:
bonds (distance) C4'-P energy: -50.409
bonds (distance) P-C4' energy: -55.984
flat angles C4'-P-C4' energy: -61.628
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -86.360
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: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -954.328725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.328725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.328725 (E_RNA)
where:
Base-Base interactions energy: -674.044
where: short stacking energy: -282.713
Base-Backbone interact. energy: 0.056
local terms energy: -280.341486
where:
bonds (distance) C4'-P energy: -47.347
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -61.098
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -86.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -900.156946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.156946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.156946 (E_RNA)
where:
Base-Base interactions energy: -616.665
where: short stacking energy: -268.552
Base-Backbone interact. energy: 1.192
local terms energy: -284.683961
where:
bonds (distance) C4'-P energy: -54.452
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -58.807
flat angles P-C4'-P energy: -45.755
tors. eta vs tors. theta energy: -72.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -855.872235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.872235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.872235 (E_RNA)
where:
Base-Base interactions energy: -578.695
where: short stacking energy: -249.668
Base-Backbone interact. energy: -1.560
local terms energy: -275.617556
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -45.356
flat angles C4'-P-C4' energy: -62.502
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -77.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -815.577302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.577302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.577302 (E_RNA)
where:
Base-Base interactions energy: -581.211
where: short stacking energy: -235.912
Base-Backbone interact. energy: 1.918
local terms energy: -236.284645
where:
bonds (distance) C4'-P energy: -39.495
bonds (distance) P-C4' energy: -45.492
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -27.864
tors. eta vs tors. theta energy: -67.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -795.769921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.769921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.769921 (E_RNA)
where:
Base-Base interactions energy: -529.498
where: short stacking energy: -222.550
Base-Backbone interact. energy: -0.182
local terms energy: -266.089654
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -62.417
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -56.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -749.083906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.083906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.083906 (E_RNA)
where:
Base-Base interactions energy: -488.433
where: short stacking energy: -206.466
Base-Backbone interact. energy: -2.353
local terms energy: -258.298433
where:
bonds (distance) C4'-P energy: -56.085
bonds (distance) P-C4' energy: -49.854
flat angles C4'-P-C4' energy: -53.368
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -60.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -725.399228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.399228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.399228 (E_RNA)
where:
Base-Base interactions energy: -492.327
where: short stacking energy: -198.304
Base-Backbone interact. energy: -1.551
local terms energy: -231.521684
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -47.890
flat angles C4'-P-C4' energy: -54.448
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -47.114
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: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -457.170737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.170737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.170737 (E_RNA)
where:
Base-Base interactions energy: -258.137
where: short stacking energy: -128.531
Base-Backbone interact. energy: 2.875
local terms energy: -201.908691
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -21.769
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: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -303.871015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.871015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.871015 (E_RNA)
where:
Base-Base interactions energy: -159.596
where: short stacking energy: -99.594
Base-Backbone interact. energy: -0.313
local terms energy: -143.962792
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -961.458156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.458156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.458156 (E_RNA)
where:
Base-Base interactions energy: -651.176
where: short stacking energy: -292.289
Base-Backbone interact. energy: -2.130
local terms energy: -308.152280
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -55.313
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -89.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -948.627798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.627798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.627798 (E_RNA)
where:
Base-Base interactions energy: -659.396
where: short stacking energy: -287.614
Base-Backbone interact. energy: -0.436
local terms energy: -288.796017
where:
bonds (distance) C4'-P energy: -54.791
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -86.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -877.474199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.474199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.474199 (E_RNA)
where:
Base-Base interactions energy: -615.709
where: short stacking energy: -261.405
Base-Backbone interact. energy: -0.866
local terms energy: -260.898814
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -51.368
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: -69.133
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: 402
Temperature: 1.050000
Total energy: -874.500388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.500388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.500388 (E_RNA)
where:
Base-Base interactions energy: -598.917
where: short stacking energy: -267.382
Base-Backbone interact. energy: 1.550
local terms energy: -277.132976
where:
bonds (distance) C4'-P energy: -45.644
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -60.287
flat angles P-C4'-P energy: -44.594
tors. eta vs tors. theta energy: -81.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -827.749928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.749928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.749928 (E_RNA)
where:
Base-Base interactions energy: -566.783
where: short stacking energy: -249.084
Base-Backbone interact. energy: -0.607
local terms energy: -260.359604
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -67.076
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: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -794.135561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.135561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.135561 (E_RNA)
where:
Base-Base interactions energy: -544.506
where: short stacking energy: -227.247
Base-Backbone interact. energy: -0.126
local terms energy: -249.502964
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -54.810
flat angles C4'-P-C4' energy: -55.356
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -62.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -771.447171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.447171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.447171 (E_RNA)
where:
Base-Base interactions energy: -516.245
where: short stacking energy: -218.414
Base-Backbone interact. energy: -0.141
local terms energy: -255.060774
where:
bonds (distance) C4'-P energy: -48.229
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -56.273
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -69.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -719.473835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.473835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.473835 (E_RNA)
where:
Base-Base interactions energy: -488.443
where: short stacking energy: -203.945
Base-Backbone interact. energy: 1.606
local terms energy: -232.636645
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -36.322
tors. eta vs tors. theta energy: -55.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -455.979422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.979422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.979422 (E_RNA)
where:
Base-Base interactions energy: -284.084
where: short stacking energy: -133.222
Base-Backbone interact. energy: -1.017
local terms energy: -170.878095
where:
bonds (distance) C4'-P energy: -50.366
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -22.267
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: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -296.466719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.466719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.466719 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -79.885
Base-Backbone interact. energy: 1.784
local terms energy: -151.927839
where:
bonds (distance) C4'-P energy: -49.591
bonds (distance) P-C4' energy: -46.467
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: 5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -971.974414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.974414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.974414 (E_RNA)
where:
Base-Base interactions energy: -675.782
where: short stacking energy: -305.132
Base-Backbone interact. energy: -0.834
local terms energy: -295.357798
where:
bonds (distance) C4'-P energy: -45.952
bonds (distance) P-C4' energy: -51.043
flat angles C4'-P-C4' energy: -64.734
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -91.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -944.986132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.986132 (E_RNA)
where:
Base-Base interactions energy: -668.710
where: short stacking energy: -291.750
Base-Backbone interact. energy: -2.134
local terms energy: -274.142228
where:
bonds (distance) C4'-P energy: -48.845
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -55.496
flat angles P-C4'-P energy: -41.416
tors. eta vs tors. theta energy: -86.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -865.162175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.162175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.162175 (E_RNA)
where:
Base-Base interactions energy: -593.990
where: short stacking energy: -240.597
Base-Backbone interact. energy: -0.766
local terms energy: -270.405800
where:
bonds (distance) C4'-P energy: -53.033
bonds (distance) P-C4' energy: -53.818
flat angles C4'-P-C4' energy: -56.076
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -66.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -850.490133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.490133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.490133 (E_RNA)
where:
Base-Base interactions energy: -588.361
where: short stacking energy: -264.123
Base-Backbone interact. energy: 0.804
local terms energy: -262.933205
where:
bonds (distance) C4'-P energy: -41.952
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -36.859
tors. eta vs tors. theta energy: -78.371
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: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -796.297888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.297888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.297888 (E_RNA)
where:
Base-Base interactions energy: -545.189
where: short stacking energy: -236.982
Base-Backbone interact. energy: -0.292
local terms energy: -250.817238
where:
bonds (distance) C4'-P energy: -46.049
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -37.181
tors. eta vs tors. theta energy: -64.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -815.789266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.789266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.789266 (E_RNA)
where:
Base-Base interactions energy: -564.212
where: short stacking energy: -217.201
Base-Backbone interact. energy: 0.124
local terms energy: -251.700776
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -59.705
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -62.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -763.847018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.847018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.847018 (E_RNA)
where:
Base-Base interactions energy: -524.201
where: short stacking energy: -205.460
Base-Backbone interact. energy: 0.345
local terms energy: -239.991169
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -33.088
tors. eta vs tors. theta energy: -61.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -729.514304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.514304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.514304 (E_RNA)
where:
Base-Base interactions energy: -509.607
where: short stacking energy: -224.760
Base-Backbone interact. energy: -2.117
local terms energy: -217.790220
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -40.237
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -58.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -475.358469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.358469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.358469 (E_RNA)
where:
Base-Base interactions energy: -261.582
where: short stacking energy: -133.570
Base-Backbone interact. energy: 0.050
local terms energy: -213.826317
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -30.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -331.227161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.227161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.227161 (E_RNA)
where:
Base-Base interactions energy: -161.796
where: short stacking energy: -71.865
Base-Backbone interact. energy: 2.929
local terms energy: -172.359887
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -44.485
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: -3.845
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: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -965.905500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.905500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.905500 (E_RNA)
where:
Base-Base interactions energy: -656.999
where: short stacking energy: -283.280
Base-Backbone interact. energy: -0.925
local terms energy: -307.981419
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -62.474
flat angles P-C4'-P energy: -48.420
tors. eta vs tors. theta energy: -88.471
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: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -959.349873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.349873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.349873 (E_RNA)
where:
Base-Base interactions energy: -674.529
where: short stacking energy: -293.535
Base-Backbone interact. energy: -2.293
local terms energy: -282.528028
where:
bonds (distance) C4'-P energy: -52.240
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -81.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -867.924132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.924132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.924132 (E_RNA)
where:
Base-Base interactions energy: -594.320
where: short stacking energy: -267.458
Base-Backbone interact. energy: -0.164
local terms energy: -273.440296
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -52.267
flat angles C4'-P-C4' energy: -49.345
flat angles P-C4'-P energy: -40.614
tors. eta vs tors. theta energy: -81.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -854.824185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.824185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.824185 (E_RNA)
where:
Base-Base interactions energy: -587.830
where: short stacking energy: -253.018
Base-Backbone interact. energy: -0.557
local terms energy: -266.437603
where:
bonds (distance) C4'-P energy: -52.805
bonds (distance) P-C4' energy: -48.588
flat angles C4'-P-C4' energy: -54.430
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: -66.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -821.113009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.113009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.113009 (E_RNA)
where:
Base-Base interactions energy: -564.513
where: short stacking energy: -222.136
Base-Backbone interact. energy: 0.622
local terms energy: -257.222143
where:
bonds (distance) C4'-P energy: -44.491
bonds (distance) P-C4' energy: -50.640
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -64.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -789.043427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.043427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.043427 (E_RNA)
where:
Base-Base interactions energy: -545.269
where: short stacking energy: -245.578
Base-Backbone interact. energy: -0.443
local terms energy: -243.331501
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -57.301
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -74.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -764.773080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.773080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.773080 (E_RNA)
where:
Base-Base interactions energy: -533.468
where: short stacking energy: -216.343
Base-Backbone interact. energy: -0.856
local terms energy: -230.448777
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -52.786
flat angles C4'-P-C4' energy: -51.935
flat angles P-C4'-P energy: -34.561
tors. eta vs tors. theta energy: -51.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -708.599096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.599096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.599096 (E_RNA)
where:
Base-Base interactions energy: -491.873
where: short stacking energy: -213.569
Base-Backbone interact. energy: 1.126
local terms energy: -217.852344
where:
bonds (distance) C4'-P energy: -46.582
bonds (distance) P-C4' energy: -43.010
flat angles C4'-P-C4' energy: -47.955
flat angles P-C4'-P energy: -31.293
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: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -452.381011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.381011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.381011 (E_RNA)
where:
Base-Base interactions energy: -283.768
where: short stacking energy: -150.119
Base-Backbone interact. energy: 2.891
local terms energy: -171.503927
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -39.697
flat angles C4'-P-C4' energy: -47.502
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -314.227034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.227034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.227034 (E_RNA)
where:
Base-Base interactions energy: -148.223
where: short stacking energy: -99.930
Base-Backbone interact. energy: -1.476
local terms energy: -164.528108
where:
bonds (distance) C4'-P energy: -51.551
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -20.838
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: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -954.002113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.002113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.002113 (E_RNA)
where:
Base-Base interactions energy: -647.923
where: short stacking energy: -273.727
Base-Backbone interact. energy: -0.669
local terms energy: -305.410302
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -61.999
flat angles P-C4'-P energy: -47.743
tors. eta vs tors. theta energy: -85.925
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -949.526734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.526734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.526734 (E_RNA)
where:
Base-Base interactions energy: -649.847
where: short stacking energy: -279.810
Base-Backbone interact. energy: 1.080
local terms energy: -300.759849
where:
bonds (distance) C4'-P energy: -50.243
bonds (distance) P-C4' energy: -59.660
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -77.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -849.739316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.739316 (E_RNA)
where:
Base-Base interactions energy: -583.659
where: short stacking energy: -253.949
Base-Backbone interact. energy: -0.772
local terms energy: -265.308180
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -49.195
flat angles C4'-P-C4' energy: -56.188
flat angles P-C4'-P energy: -39.502
tors. eta vs tors. theta energy: -71.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -827.604913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.604913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.604913 (E_RNA)
where:
Base-Base interactions energy: -576.983
where: short stacking energy: -240.839
Base-Backbone interact. energy: -0.743
local terms energy: -249.879046
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -40.921
flat angles C4'-P-C4' energy: -53.078
flat angles P-C4'-P energy: -36.497
tors. eta vs tors. theta energy: -72.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -810.428616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.428616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.428616 (E_RNA)
where:
Base-Base interactions energy: -578.242
where: short stacking energy: -215.598
Base-Backbone interact. energy: -0.323
local terms energy: -231.863763
where:
bonds (distance) C4'-P energy: -48.837
bonds (distance) P-C4' energy: -42.156
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -63.083
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: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -801.411791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.411791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.411791 (E_RNA)
where:
Base-Base interactions energy: -545.254
where: short stacking energy: -242.293
Base-Backbone interact. energy: -0.305
local terms energy: -255.853519
where:
bonds (distance) C4'-P energy: -49.562
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -36.767
tors. eta vs tors. theta energy: -66.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -749.740001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.740001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.740001 (E_RNA)
where:
Base-Base interactions energy: -544.358
where: short stacking energy: -214.355
Base-Backbone interact. energy: -1.145
local terms energy: -204.237208
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -34.402
flat angles C4'-P-C4' energy: -55.109
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -56.250
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: 405
Temperature: 1.250000
Total energy: -708.510100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.510100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.510100 (E_RNA)
where:
Base-Base interactions energy: -472.685
where: short stacking energy: -194.379
Base-Backbone interact. energy: -0.845
local terms energy: -234.979812
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -47.870
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -50.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -450.663165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.663165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.663165 (E_RNA)
where:
Base-Base interactions energy: -268.559
where: short stacking energy: -146.352
Base-Backbone interact. energy: 0.082
local terms energy: -182.186374
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -43.693
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -27.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -328.092741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.092741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.092741 (E_RNA)
where:
Base-Base interactions energy: -158.876
where: short stacking energy: -80.494
Base-Backbone interact. energy: -1.401
local terms energy: -167.815316
where:
bonds (distance) C4'-P energy: -44.702
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -39.775
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -950.415422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.415422 (E_RNA)
where:
Base-Base interactions energy: -651.951
where: short stacking energy: -279.118
Base-Backbone interact. energy: -1.936
local terms energy: -296.528699
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -52.650
flat angles C4'-P-C4' energy: -60.303
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -85.048
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: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -952.212231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.212231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.212231 (E_RNA)
where:
Base-Base interactions energy: -662.195
where: short stacking energy: -286.798
Base-Backbone interact. energy: -0.239
local terms energy: -289.778205
where:
bonds (distance) C4'-P energy: -49.523
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: -91.831
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: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -856.158266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.158266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.158266 (E_RNA)
where:
Base-Base interactions energy: -589.699
where: short stacking energy: -245.006
Base-Backbone interact. energy: -1.370
local terms energy: -265.089713
where:
bonds (distance) C4'-P energy: -45.805
bonds (distance) P-C4' energy: -48.183
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -67.072
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: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -831.595991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.595991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.595991 (E_RNA)
where:
Base-Base interactions energy: -576.348
where: short stacking energy: -249.335
Base-Backbone interact. energy: 3.035
local terms energy: -258.283237
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -52.488
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: -79.652
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: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -820.725581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.725581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.725581 (E_RNA)
where:
Base-Base interactions energy: -560.770
where: short stacking energy: -229.266
Base-Backbone interact. energy: -0.094
local terms energy: -259.861630
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -51.294
flat angles C4'-P-C4' energy: -58.657
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -63.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -812.060750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.060750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.060750 (E_RNA)
where:
Base-Base interactions energy: -553.282
where: short stacking energy: -227.904
Base-Backbone interact. energy: 1.222
local terms energy: -260.000911
where:
bonds (distance) C4'-P energy: -51.505
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -61.875
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -62.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -732.681360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.681360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.681360 (E_RNA)
where:
Base-Base interactions energy: -507.113
where: short stacking energy: -207.848
Base-Backbone interact. energy: -1.845
local terms energy: -223.723179
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -49.972
flat angles C4'-P-C4' energy: -43.005
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -55.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -715.880216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.880216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.880216 (E_RNA)
where:
Base-Base interactions energy: -493.172
where: short stacking energy: -205.774
Base-Backbone interact. energy: 0.634
local terms energy: -223.341606
where:
bonds (distance) C4'-P energy: -47.540
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -48.376
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -456.980460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.980460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.980460 (E_RNA)
where:
Base-Base interactions energy: -275.343
where: short stacking energy: -121.309
Base-Backbone interact. energy: 0.595
local terms energy: -182.232894
where:
bonds (distance) C4'-P energy: -44.583
bonds (distance) P-C4' energy: -54.158
flat angles C4'-P-C4' energy: -43.024
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -10.835
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: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -346.695893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.695893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.695893 (E_RNA)
where:
Base-Base interactions energy: -175.477
where: short stacking energy: -92.680
Base-Backbone interact. energy: -1.215
local terms energy: -170.004409
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -47.158
flat angles C4'-P-C4' energy: -43.145
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -946.657761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.657761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.657761 (E_RNA)
where:
Base-Base interactions energy: -646.292
where: short stacking energy: -275.003
Base-Backbone interact. energy: -1.016
local terms energy: -299.349806
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -82.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -954.473079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.473079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.473079 (E_RNA)
where:
Base-Base interactions energy: -667.667
where: short stacking energy: -290.022
Base-Backbone interact. energy: -0.751
local terms energy: -286.054802
where:
bonds (distance) C4'-P energy: -54.874
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -37.323
tors. eta vs tors. theta energy: -87.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -896.427406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.427406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.427406 (E_RNA)
where:
Base-Base interactions energy: -618.150
where: short stacking energy: -278.563
Base-Backbone interact. energy: -1.433
local terms energy: -276.844892
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -62.005
flat angles P-C4'-P energy: -34.379
tors. eta vs tors. theta energy: -81.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -824.270418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.270418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.270418 (E_RNA)
where:
Base-Base interactions energy: -547.156
where: short stacking energy: -246.058
Base-Backbone interact. energy: -0.443
local terms energy: -276.671185
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -50.214
flat angles C4'-P-C4' energy: -59.878
flat angles P-C4'-P energy: -35.591
tors. eta vs tors. theta energy: -72.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -831.924960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.924960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.924960 (E_RNA)
where:
Base-Base interactions energy: -566.894
where: short stacking energy: -248.100
Base-Backbone interact. energy: -0.869
local terms energy: -264.162572
where:
bonds (distance) C4'-P energy: -49.335
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -50.726
flat angles P-C4'-P energy: -43.555
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: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -786.829669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.829669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.829669 (E_RNA)
where:
Base-Base interactions energy: -531.843
where: short stacking energy: -222.987
Base-Backbone interact. energy: -1.835
local terms energy: -253.151959
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -53.002
flat angles P-C4'-P energy: -33.404
tors. eta vs tors. theta energy: -61.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -745.167913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.167913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.167913 (E_RNA)
where:
Base-Base interactions energy: -515.343
where: short stacking energy: -217.511
Base-Backbone interact. energy: -0.947
local terms energy: -228.877579
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -48.847
flat angles C4'-P-C4' energy: -47.784
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -58.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -730.554368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.554368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.554368 (E_RNA)
where:
Base-Base interactions energy: -488.695
where: short stacking energy: -190.958
Base-Backbone interact. energy: -2.493
local terms energy: -239.366873
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -57.262
flat angles P-C4'-P energy: -34.601
tors. eta vs tors. theta energy: -47.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -463.463279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.463279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.463279 (E_RNA)
where:
Base-Base interactions energy: -282.315
where: short stacking energy: -151.260
Base-Backbone interact. energy: 3.696
local terms energy: -184.844129
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -41.949
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -358.152382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.152382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.152382 (E_RNA)
where:
Base-Base interactions energy: -178.989
where: short stacking energy: -93.819
Base-Backbone interact. energy: -0.695
local terms energy: -178.467901
where:
bonds (distance) C4'-P energy: -48.185
bonds (distance) P-C4' energy: -44.960
flat angles C4'-P-C4' energy: -46.015
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -22.214
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: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -977.665453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.665453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.665453 (E_RNA)
where:
Base-Base interactions energy: -676.581
where: short stacking energy: -302.982
Base-Backbone interact. energy: 0.760
local terms energy: -301.844599
where:
bonds (distance) C4'-P energy: -50.870
bonds (distance) P-C4' energy: -48.777
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -43.842
tors. eta vs tors. theta energy: -91.354
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: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -967.068702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.068702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.068702 (E_RNA)
where:
Base-Base interactions energy: -672.484
where: short stacking energy: -281.985
Base-Backbone interact. energy: -0.064
local terms energy: -294.520736
where:
bonds (distance) C4'-P energy: -53.549
bonds (distance) P-C4' energy: -51.062
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -92.282
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: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -875.959171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.959171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.959171 (E_RNA)
where:
Base-Base interactions energy: -594.400
where: short stacking energy: -259.515
Base-Backbone interact. energy: -0.256
local terms energy: -281.302811
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -53.815
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -73.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -831.082791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.082791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.082791 (E_RNA)
where:
Base-Base interactions energy: -570.360
where: short stacking energy: -247.659
Base-Backbone interact. energy: -0.398
local terms energy: -260.325053
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -49.800
flat angles P-C4'-P energy: -40.666
tors. eta vs tors. theta energy: -73.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -832.491921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.491921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.491921 (E_RNA)
where:
Base-Base interactions energy: -567.800
where: short stacking energy: -263.469
Base-Backbone interact. energy: -0.649
local terms energy: -264.042426
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -48.672
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -73.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -739.207923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.207923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.207923 (E_RNA)
where:
Base-Base interactions energy: -498.260
where: short stacking energy: -216.179
Base-Backbone interact. energy: -0.711
local terms energy: -240.236872
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -46.782
flat angles P-C4'-P energy: -35.508
tors. eta vs tors. theta energy: -63.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -740.951316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.951316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.951316 (E_RNA)
where:
Base-Base interactions energy: -508.188
where: short stacking energy: -214.054
Base-Backbone interact. energy: -0.734
local terms energy: -232.029139
where:
bonds (distance) C4'-P energy: -43.728
bonds (distance) P-C4' energy: -37.282
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -37.917
tors. eta vs tors. theta energy: -58.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -716.679994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.679994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.679994 (E_RNA)
where:
Base-Base interactions energy: -484.232
where: short stacking energy: -198.955
Base-Backbone interact. energy: -0.651
local terms energy: -231.797600
where:
bonds (distance) C4'-P energy: -36.010
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: -51.450
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: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -444.370988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.370988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.370988 (E_RNA)
where:
Base-Base interactions energy: -262.910
where: short stacking energy: -125.605
Base-Backbone interact. energy: 0.041
local terms energy: -181.501259
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -49.310
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -28.017
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: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -354.505419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.505419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.505419 (E_RNA)
where:
Base-Base interactions energy: -187.588
where: short stacking energy: -91.385
Base-Backbone interact. energy: 2.318
local terms energy: -169.235508
where:
bonds (distance) C4'-P energy: -56.305
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -44.661
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -966.412863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.412863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.412863 (E_RNA)
where:
Base-Base interactions energy: -655.307
where: short stacking energy: -283.253
Base-Backbone interact. energy: 1.354
local terms energy: -312.459903
where:
bonds (distance) C4'-P energy: -56.499
bonds (distance) P-C4' energy: -56.942
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -49.294
tors. eta vs tors. theta energy: -88.846
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: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -930.630888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.630888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.630888 (E_RNA)
where:
Base-Base interactions energy: -649.263
where: short stacking energy: -283.419
Base-Backbone interact. energy: -0.475
local terms energy: -280.892264
where:
bonds (distance) C4'-P energy: -54.282
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -57.396
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -87.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -887.437646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.437646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.437646 (E_RNA)
where:
Base-Base interactions energy: -602.754
where: short stacking energy: -270.961
Base-Backbone interact. energy: 0.103
local terms energy: -284.787359
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -62.258
flat angles P-C4'-P energy: -37.421
tors. eta vs tors. theta energy: -79.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -844.566107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.566107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.566107 (E_RNA)
where:
Base-Base interactions energy: -583.176
where: short stacking energy: -258.694
Base-Backbone interact. energy: -0.750
local terms energy: -260.639588
where:
bonds (distance) C4'-P energy: -47.967
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -74.827
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: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -848.079071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.079071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.079071 (E_RNA)
where:
Base-Base interactions energy: -564.486
where: short stacking energy: -268.703
Base-Backbone interact. energy: 1.060
local terms energy: -284.653137
where:
bonds (distance) C4'-P energy: -53.541
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -62.716
flat angles P-C4'-P energy: -45.865
tors. eta vs tors. theta energy: -80.715
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: 409
Temperature: 1.150000
Total energy: -748.563056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.563056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.563056 (E_RNA)
where:
Base-Base interactions energy: -510.194
where: short stacking energy: -206.678
Base-Backbone interact. energy: 1.007
local terms energy: -239.376813
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -47.865
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -54.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -738.283325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.283325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.283325 (E_RNA)
where:
Base-Base interactions energy: -509.725
where: short stacking energy: -227.360
Base-Backbone interact. energy: -1.260
local terms energy: -227.298026
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -44.737
flat angles C4'-P-C4' energy: -47.474
flat angles P-C4'-P energy: -34.162
tors. eta vs tors. theta energy: -58.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -683.732044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.732044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.732044 (E_RNA)
where:
Base-Base interactions energy: -468.031
where: short stacking energy: -196.448
Base-Backbone interact. energy: -0.747
local terms energy: -214.954926
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -42.900
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -33.320
tors. eta vs tors. theta energy: -52.743
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: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -417.820338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.820338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.820338 (E_RNA)
where:
Base-Base interactions energy: -250.666
where: short stacking energy: -124.737
Base-Backbone interact. energy: 0.500
local terms energy: -167.654976
where:
bonds (distance) C4'-P energy: -42.832
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -37.136
flat angles P-C4'-P energy: -19.339
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: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -368.089612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.089612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.089612 (E_RNA)
where:
Base-Base interactions energy: -181.928
where: short stacking energy: -90.119
Base-Backbone interact. energy: -1.262
local terms energy: -184.898996
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -51.633
flat angles C4'-P-C4' energy: -45.032
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -964.031659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.031659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.031659 (E_RNA)
where:
Base-Base interactions energy: -675.590
where: short stacking energy: -294.648
Base-Backbone interact. energy: -0.320
local terms energy: -288.121649
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -83.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -928.259694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.259694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.259694 (E_RNA)
where:
Base-Base interactions energy: -655.284
where: short stacking energy: -287.251
Base-Backbone interact. energy: -0.696
local terms energy: -272.279649
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -47.746
flat angles C4'-P-C4' energy: -57.668
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: -83.582
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: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -859.107123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.107123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.107123 (E_RNA)
where:
Base-Base interactions energy: -583.776
where: short stacking energy: -256.416
Base-Backbone interact. energy: -0.631
local terms energy: -274.700977
where:
bonds (distance) C4'-P energy: -46.390
bonds (distance) P-C4' energy: -61.222
flat angles C4'-P-C4' energy: -61.661
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: -70.187
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -847.000999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.000999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.000999 (E_RNA)
where:
Base-Base interactions energy: -584.832
where: short stacking energy: -254.969
Base-Backbone interact. energy: -1.650
local terms energy: -260.518748
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -51.914
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -67.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -823.878890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.878890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.878890 (E_RNA)
where:
Base-Base interactions energy: -561.124
where: short stacking energy: -238.329
Base-Backbone interact. energy: -0.471
local terms energy: -262.283479
where:
bonds (distance) C4'-P energy: -48.497
bonds (distance) P-C4' energy: -54.463
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -72.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -740.253362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.253362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.253362 (E_RNA)
where:
Base-Base interactions energy: -491.438
where: short stacking energy: -213.663
Base-Backbone interact. energy: -0.120
local terms energy: -248.695356
where:
bonds (distance) C4'-P energy: -53.592
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -46.247
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -51.901
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -719.114323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.114323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.114323 (E_RNA)
where:
Base-Base interactions energy: -497.622
where: short stacking energy: -202.443
Base-Backbone interact. energy: -0.611
local terms energy: -220.881076
where:
bonds (distance) C4'-P energy: -40.991
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -29.404
tors. eta vs tors. theta energy: -56.071
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: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -705.021018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.021018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.021018 (E_RNA)
where:
Base-Base interactions energy: -467.907
where: short stacking energy: -207.438
Base-Backbone interact. energy: -0.755
local terms energy: -236.359430
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -45.283
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -67.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -461.038837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.038837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.038837 (E_RNA)
where:
Base-Base interactions energy: -268.145
where: short stacking energy: -139.809
Base-Backbone interact. energy: -0.045
local terms energy: -192.848944
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -39.288
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -34.710
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: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -369.539707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.539707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.539707 (E_RNA)
where:
Base-Base interactions energy: -185.907
where: short stacking energy: -106.344
Base-Backbone interact. energy: -0.752
local terms energy: -182.880771
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -961.852043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.852043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.852043 (E_RNA)
where:
Base-Base interactions energy: -656.691
where: short stacking energy: -282.334
Base-Backbone interact. energy: 0.513
local terms energy: -305.674272
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -66.052
flat angles P-C4'-P energy: -45.749
tors. eta vs tors. theta energy: -90.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -943.948688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.948688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.948688 (E_RNA)
where:
Base-Base interactions energy: -644.192
where: short stacking energy: -293.078
Base-Backbone interact. energy: -0.999
local terms energy: -298.757289
where:
bonds (distance) C4'-P energy: -44.190
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -66.878
flat angles P-C4'-P energy: -41.184
tors. eta vs tors. theta energy: -91.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -865.701370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.701370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.701370 (E_RNA)
where:
Base-Base interactions energy: -588.012
where: short stacking energy: -260.456
Base-Backbone interact. energy: -1.218
local terms energy: -276.472135
where:
bonds (distance) C4'-P energy: -59.462
bonds (distance) P-C4' energy: -52.731
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -71.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -843.530877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.530877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.530877 (E_RNA)
where:
Base-Base interactions energy: -578.619
where: short stacking energy: -244.451
Base-Backbone interact. energy: -0.548
local terms energy: -264.363485
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -58.385
flat angles C4'-P-C4' energy: -53.148
flat angles P-C4'-P energy: -28.211
tors. eta vs tors. theta energy: -72.658
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: 411
Temperature: 1.100000
Total energy: -852.509695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.509695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.509695 (E_RNA)
where:
Base-Base interactions energy: -581.029
where: short stacking energy: -250.027
Base-Backbone interact. energy: 0.764
local terms energy: -272.244420
where:
bonds (distance) C4'-P energy: -56.395
bonds (distance) P-C4' energy: -49.877
flat angles C4'-P-C4' energy: -58.666
flat angles P-C4'-P energy: -37.933
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: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -754.880602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.880602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.880602 (E_RNA)
where:
Base-Base interactions energy: -509.192
where: short stacking energy: -218.917
Base-Backbone interact. energy: 0.394
local terms energy: -246.081995
where:
bonds (distance) C4'-P energy: -47.879
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -50.470
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -737.718726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.718726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.718726 (E_RNA)
where:
Base-Base interactions energy: -505.957
where: short stacking energy: -219.980
Base-Backbone interact. energy: 5.311
local terms energy: -237.072930
where:
bonds (distance) C4'-P energy: -42.113
bonds (distance) P-C4' energy: -47.459
flat angles C4'-P-C4' energy: -53.818
flat angles P-C4'-P energy: -34.530
tors. eta vs tors. theta energy: -59.153
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: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -690.480260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.480260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.480260 (E_RNA)
where:
Base-Base interactions energy: -467.203
where: short stacking energy: -185.019
Base-Backbone interact. energy: -1.077
local terms energy: -222.200292
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -33.698
tors. eta vs tors. theta energy: -49.268
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: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -445.503754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.503754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.503754 (E_RNA)
where:
Base-Base interactions energy: -257.558
where: short stacking energy: -114.637
Base-Backbone interact. energy: -0.905
local terms energy: -187.040744
where:
bonds (distance) C4'-P energy: -47.003
bonds (distance) P-C4' energy: -53.108
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -363.663312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.663312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.663312 (E_RNA)
where:
Base-Base interactions energy: -195.298
where: short stacking energy: -96.040
Base-Backbone interact. energy: 0.047
local terms energy: -168.413054
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -962.099252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.099252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.099252 (E_RNA)
where:
Base-Base interactions energy: -650.410
where: short stacking energy: -284.980
Base-Backbone interact. energy: -0.723
local terms energy: -310.966496
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -63.107
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -92.744
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: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -943.562177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.562177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.562177 (E_RNA)
where:
Base-Base interactions energy: -648.702
where: short stacking energy: -290.227
Base-Backbone interact. energy: 0.256
local terms energy: -295.116607
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -37.202
flat angles C4'-P-C4' energy: -66.359
flat angles P-C4'-P energy: -49.433
tors. eta vs tors. theta energy: -85.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -854.482992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.482992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.482992 (E_RNA)
where:
Base-Base interactions energy: -585.411
where: short stacking energy: -247.321
Base-Backbone interact. energy: -0.599
local terms energy: -268.472738
where:
bonds (distance) C4'-P energy: -45.489
bonds (distance) P-C4' energy: -56.647
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -69.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -827.900088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.900088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.900088 (E_RNA)
where:
Base-Base interactions energy: -559.022
where: short stacking energy: -227.245
Base-Backbone interact. energy: -0.492
local terms energy: -268.385579
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -57.198
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -61.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -825.153739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.153739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.153739 (E_RNA)
where:
Base-Base interactions energy: -548.955
where: short stacking energy: -238.075
Base-Backbone interact. energy: -0.978
local terms energy: -275.220601
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -55.446
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -75.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -752.886695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.886695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.886695 (E_RNA)
where:
Base-Base interactions energy: -499.845
where: short stacking energy: -210.809
Base-Backbone interact. energy: 0.598
local terms energy: -253.639209
where:
bonds (distance) C4'-P energy: -50.372
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -51.315
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: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -748.194049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.194049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.194049 (E_RNA)
where:
Base-Base interactions energy: -509.199
where: short stacking energy: -220.094
Base-Backbone interact. energy: 0.248
local terms energy: -239.243590
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -57.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -691.267043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.267043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.267043 (E_RNA)
where:
Base-Base interactions energy: -465.613
where: short stacking energy: -198.236
Base-Backbone interact. energy: 1.342
local terms energy: -226.995715
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -44.949
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -63.401
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: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -395.237170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.237170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.237170 (E_RNA)
where:
Base-Base interactions energy: -226.463
where: short stacking energy: -108.275
Base-Backbone interact. energy: -0.376
local terms energy: -168.398252
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -42.481
flat angles C4'-P-C4' energy: -45.409
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -18.027
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: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -441.159324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.159324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.159324 (E_RNA)
where:
Base-Base interactions energy: -245.911
where: short stacking energy: -115.212
Base-Backbone interact. energy: 0.772
local terms energy: -196.020394
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -45.526
flat angles C4'-P-C4' energy: -54.445
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -21.773
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: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -956.746843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.746843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.746843 (E_RNA)
where:
Base-Base interactions energy: -676.874
where: short stacking energy: -283.892
Base-Backbone interact. energy: -1.101
local terms energy: -278.772403
where:
bonds (distance) C4'-P energy: -54.004
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -55.322
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -85.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -934.358691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.358691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.358691 (E_RNA)
where:
Base-Base interactions energy: -631.954
where: short stacking energy: -281.900
Base-Backbone interact. energy: -1.888
local terms energy: -300.516361
where:
bonds (distance) C4'-P energy: -54.749
bonds (distance) P-C4' energy: -59.506
flat angles C4'-P-C4' energy: -63.740
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: -80.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -848.125244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.125244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.125244 (E_RNA)
where:
Base-Base interactions energy: -561.768
where: short stacking energy: -243.003
Base-Backbone interact. energy: 0.919
local terms energy: -287.276609
where:
bonds (distance) C4'-P energy: -53.797
bonds (distance) P-C4' energy: -59.301
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -43.207
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: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -849.958236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.958236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.958236 (E_RNA)
where:
Base-Base interactions energy: -590.254
where: short stacking energy: -249.122
Base-Backbone interact. energy: -1.790
local terms energy: -257.914894
where:
bonds (distance) C4'-P energy: -40.504
bonds (distance) P-C4' energy: -51.787
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -72.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -829.245756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.245756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.245756 (E_RNA)
where:
Base-Base interactions energy: -571.423
where: short stacking energy: -254.985
Base-Backbone interact. energy: -0.637
local terms energy: -257.186527
where:
bonds (distance) C4'-P energy: -43.370
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -41.000
tors. eta vs tors. theta energy: -70.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -729.279663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.279663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.279663 (E_RNA)
where:
Base-Base interactions energy: -493.752
where: short stacking energy: -207.168
Base-Backbone interact. energy: 0.019
local terms energy: -235.546954
where:
bonds (distance) C4'-P energy: -50.744
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -52.137
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -59.808
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: 413
Temperature: 1.200000
Total energy: -727.714356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.714356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.714356 (E_RNA)
where:
Base-Base interactions energy: -487.033
where: short stacking energy: -211.965
Base-Backbone interact. energy: -0.907
local terms energy: -239.774112
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -48.586
flat angles P-C4'-P energy: -31.516
tors. eta vs tors. theta energy: -58.036
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: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -698.301997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.301997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.301997 (E_RNA)
where:
Base-Base interactions energy: -473.572
where: short stacking energy: -210.556
Base-Backbone interact. energy: -0.470
local terms energy: -224.259581
where:
bonds (distance) C4'-P energy: -53.096
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -45.411
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -55.096
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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -406.937813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.937813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.937813 (E_RNA)
where:
Base-Base interactions energy: -225.947
where: short stacking energy: -113.205
Base-Backbone interact. energy: -1.217
local terms energy: -179.774538
where:
bonds (distance) C4'-P energy: -38.173
bonds (distance) P-C4' energy: -50.844
flat angles C4'-P-C4' energy: -41.170
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -376.527920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.527920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.527920 (E_RNA)
where:
Base-Base interactions energy: -214.877
where: short stacking energy: -139.376
Base-Backbone interact. energy: 1.291
local terms energy: -162.941631
where:
bonds (distance) C4'-P energy: -41.848
bonds (distance) P-C4' energy: -38.613
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -22.675
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: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -962.649458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.649458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.649458 (E_RNA)
where:
Base-Base interactions energy: -678.997
where: short stacking energy: -280.678
Base-Backbone interact. energy: -1.071
local terms energy: -282.581282
where:
bonds (distance) C4'-P energy: -46.045
bonds (distance) P-C4' energy: -53.251
flat angles C4'-P-C4' energy: -60.472
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -83.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -954.186718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.186718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.186718 (E_RNA)
where:
Base-Base interactions energy: -662.664
where: short stacking energy: -297.928
Base-Backbone interact. energy: -0.495
local terms energy: -291.028342
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -51.870
flat angles C4'-P-C4' energy: -64.725
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -85.050
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -852.703148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.703148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.703148 (E_RNA)
where:
Base-Base interactions energy: -593.096
where: short stacking energy: -245.139
Base-Backbone interact. energy: -0.541
local terms energy: -259.065775
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -45.986
flat angles C4'-P-C4' energy: -58.782
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -64.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -834.301160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.301160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.301160 (E_RNA)
where:
Base-Base interactions energy: -576.979
where: short stacking energy: -247.449
Base-Backbone interact. energy: 1.051
local terms energy: -258.373741
where:
bonds (distance) C4'-P energy: -43.040
bonds (distance) P-C4' energy: -53.005
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -70.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -825.157836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.157836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.157836 (E_RNA)
where:
Base-Base interactions energy: -560.430
where: short stacking energy: -240.856
Base-Backbone interact. energy: -1.570
local terms energy: -263.158290
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -60.277
flat angles P-C4'-P energy: -42.308
tors. eta vs tors. theta energy: -71.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -759.710516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.710516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.710516 (E_RNA)
where:
Base-Base interactions energy: -517.411
where: short stacking energy: -227.745
Base-Backbone interact. energy: -0.664
local terms energy: -241.635604
where:
bonds (distance) C4'-P energy: -42.895
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -56.278
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -66.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -759.414460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.414460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.414460 (E_RNA)
where:
Base-Base interactions energy: -527.168
where: short stacking energy: -215.392
Base-Backbone interact. energy: -0.679
local terms energy: -231.567389
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -55.487
flat angles P-C4'-P energy: -32.496
tors. eta vs tors. theta energy: -61.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -629.009045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.009045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.009045 (E_RNA)
where:
Base-Base interactions energy: -412.490
where: short stacking energy: -178.522
Base-Backbone interact. energy: -1.466
local terms energy: -215.052746
where:
bonds (distance) C4'-P energy: -48.265
bonds (distance) P-C4' energy: -45.671
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -47.128
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: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -397.807278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.807278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.807278 (E_RNA)
where:
Base-Base interactions energy: -231.325
where: short stacking energy: -118.768
Base-Backbone interact. energy: -4.150
local terms energy: -162.331630
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -44.031
flat angles C4'-P-C4' energy: -41.695
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -342.362599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.362599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.362599 (E_RNA)
where:
Base-Base interactions energy: -195.894
where: short stacking energy: -82.296
Base-Backbone interact. energy: -1.363
local terms energy: -145.105783
where:
bonds (distance) C4'-P energy: -45.362
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -41.233
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: 3.018
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: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -965.957230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.957230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.957230 (E_RNA)
where:
Base-Base interactions energy: -662.563
where: short stacking energy: -290.082
Base-Backbone interact. energy: -0.967
local terms energy: -302.426854
where:
bonds (distance) C4'-P energy: -57.026
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -60.855
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -93.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -952.017895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.017895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.017895 (E_RNA)
where:
Base-Base interactions energy: -655.496
where: short stacking energy: -279.276
Base-Backbone interact. energy: -0.470
local terms energy: -296.051822
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -43.334
tors. eta vs tors. theta energy: -87.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -866.209543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.209543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.209543 (E_RNA)
where:
Base-Base interactions energy: -582.662
where: short stacking energy: -261.637
Base-Backbone interact. energy: -0.567
local terms energy: -282.980691
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: -75.411
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: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -841.520160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.520160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.520160 (E_RNA)
where:
Base-Base interactions energy: -577.440
where: short stacking energy: -251.121
Base-Backbone interact. energy: -2.051
local terms energy: -262.028725
where:
bonds (distance) C4'-P energy: -52.418
bonds (distance) P-C4' energy: -51.069
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -33.496
tors. eta vs tors. theta energy: -68.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -830.840487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.840487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.840487 (E_RNA)
where:
Base-Base interactions energy: -565.668
where: short stacking energy: -250.707
Base-Backbone interact. energy: -1.640
local terms energy: -263.532029
where:
bonds (distance) C4'-P energy: -52.752
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: -69.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -768.162812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.162812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.162812 (E_RNA)
where:
Base-Base interactions energy: -510.491
where: short stacking energy: -209.154
Base-Backbone interact. energy: -0.927
local terms energy: -256.744482
where:
bonds (distance) C4'-P energy: -52.290
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -58.151
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: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -725.764199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.764199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.764199 (E_RNA)
where:
Base-Base interactions energy: -487.124
where: short stacking energy: -218.887
Base-Backbone interact. energy: -0.907
local terms energy: -237.732611
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -49.512
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -61.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -642.529593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.529593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.529593 (E_RNA)
where:
Base-Base interactions energy: -431.735
where: short stacking energy: -182.937
Base-Backbone interact. energy: -0.571
local terms energy: -210.223265
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -38.367
tors. eta vs tors. theta energy: -50.723
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: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -388.284756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.284756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.284756 (E_RNA)
where:
Base-Base interactions energy: -199.432
where: short stacking energy: -106.631
Base-Backbone interact. energy: -0.856
local terms energy: -187.996840
where:
bonds (distance) C4'-P energy: -53.260
bonds (distance) P-C4' energy: -51.425
flat angles C4'-P-C4' energy: -47.130
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -17.231
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: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -350.351647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.351647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.351647 (E_RNA)
where:
Base-Base interactions energy: -179.253
where: short stacking energy: -87.539
Base-Backbone interact. energy: -0.864
local terms energy: -170.235257
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -48.604
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -961.254864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.254864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.254864 (E_RNA)
where:
Base-Base interactions energy: -673.177
where: short stacking energy: -296.457
Base-Backbone interact. energy: -0.897
local terms energy: -287.180625
where:
bonds (distance) C4'-P energy: -49.821
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -59.371
flat angles P-C4'-P energy: -40.481
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -946.498140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.498140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.498140 (E_RNA)
where:
Base-Base interactions energy: -660.955
where: short stacking energy: -285.251
Base-Backbone interact. energy: -1.074
local terms energy: -284.468762
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -55.205
flat angles C4'-P-C4' energy: -54.557
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: -86.928
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: 416
Temperature: 1.000000
Total energy: -870.403357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.403357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.403357 (E_RNA)
where:
Base-Base interactions energy: -602.632
where: short stacking energy: -254.895
Base-Backbone interact. energy: -2.037
local terms energy: -265.734291
where:
bonds (distance) C4'-P energy: -53.395
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -56.226
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -71.107
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -816.641631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.641631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.641631 (E_RNA)
where:
Base-Base interactions energy: -553.317
where: short stacking energy: -247.024
Base-Backbone interact. energy: -0.904
local terms energy: -262.421451
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -53.767
flat angles C4'-P-C4' energy: -55.018
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -68.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -830.427930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.427930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.427930 (E_RNA)
where:
Base-Base interactions energy: -580.306
where: short stacking energy: -270.111
Base-Backbone interact. energy: 1.609
local terms energy: -251.730728
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -55.945
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -77.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -753.006616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.006616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.006616 (E_RNA)
where:
Base-Base interactions energy: -511.677
where: short stacking energy: -217.743
Base-Backbone interact. energy: 0.027
local terms energy: -241.356016
where:
bonds (distance) C4'-P energy: -45.218
bonds (distance) P-C4' energy: -47.342
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -59.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -730.210148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.210148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.210148 (E_RNA)
where:
Base-Base interactions energy: -508.552
where: short stacking energy: -201.301
Base-Backbone interact. energy: -0.921
local terms energy: -220.736872
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -44.754
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -51.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -659.243590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.243590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.243590 (E_RNA)
where:
Base-Base interactions energy: -440.965
where: short stacking energy: -182.303
Base-Backbone interact. energy: 1.419
local terms energy: -219.697415
where:
bonds (distance) C4'-P energy: -45.258
bonds (distance) P-C4' energy: -48.088
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -48.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -353.577882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.577882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.577882 (E_RNA)
where:
Base-Base interactions energy: -167.923
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.904
local terms energy: -184.750945
where:
bonds (distance) C4'-P energy: -45.243
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -43.738
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -376.865604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.865604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.865604 (E_RNA)
where:
Base-Base interactions energy: -218.137
where: short stacking energy: -108.365
Base-Backbone interact. energy: -1.259
local terms energy: -157.469260
where:
bonds (distance) C4'-P energy: -44.498
bonds (distance) P-C4' energy: -44.685
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -31.786
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: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -954.179233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.179233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.179233 (E_RNA)
where:
Base-Base interactions energy: -661.882
where: short stacking energy: -288.001
Base-Backbone interact. energy: -0.575
local terms energy: -291.722739
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -57.442
flat angles C4'-P-C4' energy: -55.889
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -82.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -955.251961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.251961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.251961 (E_RNA)
where:
Base-Base interactions energy: -662.649
where: short stacking energy: -280.712
Base-Backbone interact. energy: -1.391
local terms energy: -291.212438
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -87.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -854.741651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.741651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.741651 (E_RNA)
where:
Base-Base interactions energy: -594.812
where: short stacking energy: -255.517
Base-Backbone interact. energy: -0.401
local terms energy: -259.528700
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -51.980
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -34.102
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: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -834.767858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.767858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.767858 (E_RNA)
where:
Base-Base interactions energy: -570.418
where: short stacking energy: -254.945
Base-Backbone interact. energy: -0.521
local terms energy: -263.829259
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -52.824
flat angles C4'-P-C4' energy: -58.584
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -70.109
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -809.982774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.982774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.982774 (E_RNA)
where:
Base-Base interactions energy: -564.641
where: short stacking energy: -243.406
Base-Backbone interact. energy: -0.770
local terms energy: -244.571895
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -44.586
flat angles C4'-P-C4' energy: -50.553
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: -60.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -769.906110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.906110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.906110 (E_RNA)
where:
Base-Base interactions energy: -523.087
where: short stacking energy: -216.682
Base-Backbone interact. energy: -1.673
local terms energy: -245.146730
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -31.687
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: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -735.360105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.360105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.360105 (E_RNA)
where:
Base-Base interactions energy: -492.368
where: short stacking energy: -215.996
Base-Backbone interact. energy: -0.789
local terms energy: -242.203195
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -52.364
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -58.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -635.194683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.194683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.194683 (E_RNA)
where:
Base-Base interactions energy: -424.581
where: short stacking energy: -192.159
Base-Backbone interact. energy: -1.362
local terms energy: -209.252502
where:
bonds (distance) C4'-P energy: -41.179
bonds (distance) P-C4' energy: -48.288
flat angles C4'-P-C4' energy: -41.108
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -48.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -387.829682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.829682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.829682 (E_RNA)
where:
Base-Base interactions energy: -202.363
where: short stacking energy: -113.702
Base-Backbone interact. energy: -0.672
local terms energy: -184.794557
where:
bonds (distance) C4'-P energy: -40.814
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -46.675
flat angles P-C4'-P energy: -29.284
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -336.511473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.511473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.511473 (E_RNA)
where:
Base-Base interactions energy: -188.061
where: short stacking energy: -103.979
Base-Backbone interact. energy: -1.241
local terms energy: -147.209918
where:
bonds (distance) C4'-P energy: -27.792
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -15.541
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: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -974.048913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.048913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.048913 (E_RNA)
where:
Base-Base interactions energy: -676.480
where: short stacking energy: -293.773
Base-Backbone interact. energy: -1.188
local terms energy: -296.381379
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -62.659
flat angles P-C4'-P energy: -40.434
tors. eta vs tors. theta energy: -88.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -927.358560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.358560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.358560 (E_RNA)
where:
Base-Base interactions energy: -637.991
where: short stacking energy: -275.565
Base-Backbone interact. energy: 0.704
local terms energy: -290.071705
where:
bonds (distance) C4'-P energy: -50.769
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -58.987
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -78.831
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: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -859.569728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.569728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.569728 (E_RNA)
where:
Base-Base interactions energy: -590.145
where: short stacking energy: -251.950
Base-Backbone interact. energy: -0.274
local terms energy: -269.150371
where:
bonds (distance) C4'-P energy: -51.705
bonds (distance) P-C4' energy: -50.860
flat angles C4'-P-C4' energy: -54.311
flat angles P-C4'-P energy: -40.774
tors. eta vs tors. theta energy: -71.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -826.519029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.519029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.519029 (E_RNA)
where:
Base-Base interactions energy: -568.067
where: short stacking energy: -258.133
Base-Backbone interact. energy: 0.046
local terms energy: -258.497951
where:
bonds (distance) C4'-P energy: -46.008
bonds (distance) P-C4' energy: -42.945
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -72.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -793.332709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.332709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.332709 (E_RNA)
where:
Base-Base interactions energy: -539.925
where: short stacking energy: -238.352
Base-Backbone interact. energy: 1.407
local terms energy: -254.814538
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -53.749
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -68.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -750.876131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.876131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.876131 (E_RNA)
where:
Base-Base interactions energy: -516.853
where: short stacking energy: -207.492
Base-Backbone interact. energy: 0.002
local terms energy: -234.025414
where:
bonds (distance) C4'-P energy: -51.003
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -51.088
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -51.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -719.741531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.741531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.741531 (E_RNA)
where:
Base-Base interactions energy: -507.316
where: short stacking energy: -204.130
Base-Backbone interact. energy: 0.290
local terms energy: -212.715495
where:
bonds (distance) C4'-P energy: -43.360
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -50.964
flat angles P-C4'-P energy: -30.120
tors. eta vs tors. theta energy: -50.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -692.533612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.533612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.533612 (E_RNA)
where:
Base-Base interactions energy: -481.840
where: short stacking energy: -194.222
Base-Backbone interact. energy: 1.434
local terms energy: -212.127776
where:
bonds (distance) C4'-P energy: -48.308
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -368.906377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.906377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.906377 (E_RNA)
where:
Base-Base interactions energy: -204.625
where: short stacking energy: -111.785
Base-Backbone interact. energy: -3.183
local terms energy: -161.097845
where:
bonds (distance) C4'-P energy: -36.747
bonds (distance) P-C4' energy: -43.931
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -290.136701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.136701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.136701 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -78.324
Base-Backbone interact. energy: -1.039
local terms energy: -156.711951
where:
bonds (distance) C4'-P energy: -36.873
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -1.046
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: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -970.798972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.798972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.798972 (E_RNA)
where:
Base-Base interactions energy: -670.608
where: short stacking energy: -280.650
Base-Backbone interact. energy: -1.455
local terms energy: -298.736075
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -36.871
tors. eta vs tors. theta energy: -89.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -943.371294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.371294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.371294 (E_RNA)
where:
Base-Base interactions energy: -659.672
where: short stacking energy: -303.709
Base-Backbone interact. energy: -0.856
local terms energy: -282.843417
where:
bonds (distance) C4'-P energy: -50.081
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -84.318
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: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -871.100654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.100654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.100654 (E_RNA)
where:
Base-Base interactions energy: -602.128
where: short stacking energy: -245.977
Base-Backbone interact. energy: -0.600
local terms energy: -268.372749
where:
bonds (distance) C4'-P energy: -52.377
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -55.046
flat angles P-C4'-P energy: -37.688
tors. eta vs tors. theta energy: -71.053
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: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -842.911217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.911217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.911217 (E_RNA)
where:
Base-Base interactions energy: -579.299
where: short stacking energy: -239.037
Base-Backbone interact. energy: -1.140
local terms energy: -262.471853
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -68.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -812.729186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.729186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.729186 (E_RNA)
where:
Base-Base interactions energy: -538.175
where: short stacking energy: -226.927
Base-Backbone interact. energy: -0.102
local terms energy: -274.451400
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -72.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -767.530749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.530749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.530749 (E_RNA)
where:
Base-Base interactions energy: -534.356
where: short stacking energy: -225.080
Base-Backbone interact. energy: 0.790
local terms energy: -233.964572
where:
bonds (distance) C4'-P energy: -35.513
bonds (distance) P-C4' energy: -40.691
flat angles C4'-P-C4' energy: -53.818
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -62.568
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: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -745.669359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.669359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.669359 (E_RNA)
where:
Base-Base interactions energy: -510.504
where: short stacking energy: -216.358
Base-Backbone interact. energy: -0.251
local terms energy: -234.914161
where:
bonds (distance) C4'-P energy: -41.737
bonds (distance) P-C4' energy: -43.466
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: -59.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -698.209565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.209565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.209565 (E_RNA)
where:
Base-Base interactions energy: -506.414
where: short stacking energy: -194.790
Base-Backbone interact. energy: -1.019
local terms energy: -190.776389
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -32.060
flat angles C4'-P-C4' energy: -55.745
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: -50.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -364.787619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.787619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.787619 (E_RNA)
where:
Base-Base interactions energy: -213.174
where: short stacking energy: -103.879
Base-Backbone interact. energy: -1.919
local terms energy: -149.694559
where:
bonds (distance) C4'-P energy: -42.726
bonds (distance) P-C4' energy: -48.219
flat angles C4'-P-C4' energy: -41.865
flat angles P-C4'-P energy: -18.129
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: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -304.617945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.617945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.617945 (E_RNA)
where:
Base-Base interactions energy: -158.077
where: short stacking energy: -82.301
Base-Backbone interact. energy: 2.917
local terms energy: -149.458027
where:
bonds (distance) C4'-P energy: -35.988
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -4.022
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: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -971.177282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.177282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.177282 (E_RNA)
where:
Base-Base interactions energy: -670.375
where: short stacking energy: -292.936
Base-Backbone interact. energy: -0.829
local terms energy: -299.972857
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -67.809
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -93.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -931.289801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.289801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.289801 (E_RNA)
where:
Base-Base interactions energy: -647.451
where: short stacking energy: -275.175
Base-Backbone interact. energy: 1.235
local terms energy: -285.073490
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -78.614
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -864.802466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.802466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.802466 (E_RNA)
where:
Base-Base interactions energy: -574.067
where: short stacking energy: -253.757
Base-Backbone interact. energy: -1.264
local terms energy: -289.471053
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -70.701
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: 420
Temperature: 1.050000
Total energy: -839.655235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.655235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.655235 (E_RNA)
where:
Base-Base interactions energy: -578.554
where: short stacking energy: -246.335
Base-Backbone interact. energy: 0.348
local terms energy: -261.449512
where:
bonds (distance) C4'-P energy: -45.540
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -59.137
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -70.538
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: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -782.469209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.469209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.469209 (E_RNA)
where:
Base-Base interactions energy: -525.402
where: short stacking energy: -229.626
Base-Backbone interact. energy: -0.134
local terms energy: -256.933797
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -39.856
tors. eta vs tors. theta energy: -65.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -779.869358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.869358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.869358 (E_RNA)
where:
Base-Base interactions energy: -535.900
where: short stacking energy: -236.615
Base-Backbone interact. energy: -0.338
local terms energy: -243.631605
where:
bonds (distance) C4'-P energy: -46.558
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -32.224
tors. eta vs tors. theta energy: -62.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -740.264655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.264655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.264655 (E_RNA)
where:
Base-Base interactions energy: -511.853
where: short stacking energy: -212.752
Base-Backbone interact. energy: -1.098
local terms energy: -227.313595
where:
bonds (distance) C4'-P energy: -46.877
bonds (distance) P-C4' energy: -43.281
flat angles C4'-P-C4' energy: -50.647
flat angles P-C4'-P energy: -30.313
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: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -714.892297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.892297 (E_RNA)
where:
Base-Base interactions energy: -498.645
where: short stacking energy: -207.661
Base-Backbone interact. energy: 1.496
local terms energy: -217.742810
where:
bonds (distance) C4'-P energy: -44.062
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -61.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -379.664278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.664278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.664278 (E_RNA)
where:
Base-Base interactions energy: -182.891
where: short stacking energy: -97.034
Base-Backbone interact. energy: -0.174
local terms energy: -196.599066
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -45.967
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -295.612694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.612694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.612694 (E_RNA)
where:
Base-Base interactions energy: -128.119
where: short stacking energy: -79.773
Base-Backbone interact. energy: -0.669
local terms energy: -166.824827
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -56.988
flat angles C4'-P-C4' energy: -50.712
flat angles P-C4'-P energy: -22.848
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: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -978.809023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.809023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.809023 (E_RNA)
where:
Base-Base interactions energy: -667.368
where: short stacking energy: -285.296
Base-Backbone interact. energy: -0.227
local terms energy: -311.214583
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -60.942
flat angles C4'-P-C4' energy: -64.332
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -90.344
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -938.524848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.524848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.524848 (E_RNA)
where:
Base-Base interactions energy: -651.435
where: short stacking energy: -280.611
Base-Backbone interact. energy: -0.021
local terms energy: -287.069138
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -46.939
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: -82.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -881.542570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.542570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.542570 (E_RNA)
where:
Base-Base interactions energy: -619.594
where: short stacking energy: -257.670
Base-Backbone interact. energy: -1.575
local terms energy: -260.373967
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -52.865
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -66.000
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: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -835.719589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.719589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.719589 (E_RNA)
where:
Base-Base interactions energy: -571.321
where: short stacking energy: -260.661
Base-Backbone interact. energy: -0.525
local terms energy: -263.873462
where:
bonds (distance) C4'-P energy: -47.237
bonds (distance) P-C4' energy: -50.268
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -67.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -816.607518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.607518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.607518 (E_RNA)
where:
Base-Base interactions energy: -564.383
where: short stacking energy: -255.764
Base-Backbone interact. energy: -0.800
local terms energy: -251.424363
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -46.762
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -36.850
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: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -744.581505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.581505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.581505 (E_RNA)
where:
Base-Base interactions energy: -503.457
where: short stacking energy: -222.615
Base-Backbone interact. energy: -0.152
local terms energy: -240.972341
where:
bonds (distance) C4'-P energy: -41.512
bonds (distance) P-C4' energy: -54.287
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -33.371
tors. eta vs tors. theta energy: -58.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -733.114780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.114780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.114780 (E_RNA)
where:
Base-Base interactions energy: -507.980
where: short stacking energy: -203.938
Base-Backbone interact. energy: -1.447
local terms energy: -223.688087
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -44.219
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -64.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -686.178915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.178915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.178915 (E_RNA)
where:
Base-Base interactions energy: -450.284
where: short stacking energy: -186.621
Base-Backbone interact. energy: -1.107
local terms energy: -234.787745
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -47.079
flat angles C4'-P-C4' energy: -49.120
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -55.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -441.977421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.977421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.977421 (E_RNA)
where:
Base-Base interactions energy: -246.572
where: short stacking energy: -124.475
Base-Backbone interact. energy: -1.006
local terms energy: -194.399899
where:
bonds (distance) C4'-P energy: -39.284
bonds (distance) P-C4' energy: -49.247
flat angles C4'-P-C4' energy: -41.224
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -295.261010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.261010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.261010 (E_RNA)
where:
Base-Base interactions energy: -130.581
where: short stacking energy: -78.754
Base-Backbone interact. energy: -0.542
local terms energy: -164.137718
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -51.980
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -975.569859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.569859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.569859 (E_RNA)
where:
Base-Base interactions energy: -680.102
where: short stacking energy: -289.259
Base-Backbone interact. energy: -1.052
local terms energy: -294.416668
where:
bonds (distance) C4'-P energy: -52.514
bonds (distance) P-C4' energy: -56.424
flat angles C4'-P-C4' energy: -58.090
flat angles P-C4'-P energy: -37.279
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -935.206172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.206172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.206172 (E_RNA)
where:
Base-Base interactions energy: -640.657
where: short stacking energy: -280.965
Base-Backbone interact. energy: 0.766
local terms energy: -295.315767
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -55.262
flat angles C4'-P-C4' energy: -69.065
flat angles P-C4'-P energy: -39.395
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: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -880.490924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.490924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.490924 (E_RNA)
where:
Base-Base interactions energy: -600.193
where: short stacking energy: -270.156
Base-Backbone interact. energy: 0.995
local terms energy: -281.292090
where:
bonds (distance) C4'-P energy: -53.911
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: -79.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -851.223512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.223512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.223512 (E_RNA)
where:
Base-Base interactions energy: -576.403
where: short stacking energy: -243.880
Base-Backbone interact. energy: -2.377
local terms energy: -272.442700
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -41.952
flat angles C4'-P-C4' energy: -58.656
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -68.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -833.342695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.342695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.342695 (E_RNA)
where:
Base-Base interactions energy: -565.699
where: short stacking energy: -254.411
Base-Backbone interact. energy: -0.644
local terms energy: -267.000449
where:
bonds (distance) C4'-P energy: -44.917
bonds (distance) P-C4' energy: -47.753
flat angles C4'-P-C4' energy: -58.103
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -74.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -733.543304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.543304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.543304 (E_RNA)
where:
Base-Base interactions energy: -498.287
where: short stacking energy: -205.824
Base-Backbone interact. energy: -1.396
local terms energy: -233.859684
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -53.100
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -30.406
tors. eta vs tors. theta energy: -51.606
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: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -744.516550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.516550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.516550 (E_RNA)
where:
Base-Base interactions energy: -514.469
where: short stacking energy: -204.719
Base-Backbone interact. energy: -1.602
local terms energy: -228.445358
where:
bonds (distance) C4'-P energy: -47.776
bonds (distance) P-C4' energy: -53.458
flat angles C4'-P-C4' energy: -42.772
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -55.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -649.482143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.482143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.482143 (E_RNA)
where:
Base-Base interactions energy: -449.214
where: short stacking energy: -177.687
Base-Backbone interact. energy: -0.628
local terms energy: -199.640313
where:
bonds (distance) C4'-P energy: -35.439
bonds (distance) P-C4' energy: -46.546
flat angles C4'-P-C4' energy: -47.203
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -39.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -458.815562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.815562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.815562 (E_RNA)
where:
Base-Base interactions energy: -256.284
where: short stacking energy: -128.026
Base-Backbone interact. energy: -0.000
local terms energy: -202.531346
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -53.827
flat angles C4'-P-C4' energy: -41.125
flat angles P-C4'-P energy: -32.564
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -303.293024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.293024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.293024 (E_RNA)
where:
Base-Base interactions energy: -137.008
where: short stacking energy: -73.116
Base-Backbone interact. energy: 1.575
local terms energy: -167.860339
where:
bonds (distance) C4'-P energy: -47.792
bonds (distance) P-C4' energy: -42.297
flat angles C4'-P-C4' energy: -50.784
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: 2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -975.926148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.926148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.926148 (E_RNA)
where:
Base-Base interactions energy: -669.403
where: short stacking energy: -291.425
Base-Backbone interact. energy: -2.514
local terms energy: -304.008441
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -60.630
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -94.854
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -931.727481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.727481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.727481 (E_RNA)
where:
Base-Base interactions energy: -645.359
where: short stacking energy: -274.913
Base-Backbone interact. energy: 2.131
local terms energy: -288.499596
where:
bonds (distance) C4'-P energy: -50.348
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -63.220
flat angles P-C4'-P energy: -44.583
tors. eta vs tors. theta energy: -78.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -897.762547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.762547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.762547 (E_RNA)
where:
Base-Base interactions energy: -610.867
where: short stacking energy: -260.995
Base-Backbone interact. energy: -1.007
local terms energy: -285.888226
where:
bonds (distance) C4'-P energy: -56.971
bonds (distance) P-C4' energy: -56.051
flat angles C4'-P-C4' energy: -53.543
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -77.363
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -840.157573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.157573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.157573 (E_RNA)
where:
Base-Base interactions energy: -551.522
where: short stacking energy: -243.997
Base-Backbone interact. energy: -0.242
local terms energy: -288.392780
where:
bonds (distance) C4'-P energy: -57.577
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -63.306
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -75.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -815.065253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.065253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.065253 (E_RNA)
where:
Base-Base interactions energy: -557.683
where: short stacking energy: -241.463
Base-Backbone interact. energy: 0.258
local terms energy: -257.640593
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -55.047
flat angles P-C4'-P energy: -39.207
tors. eta vs tors. theta energy: -66.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -771.510214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.510214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.510214 (E_RNA)
where:
Base-Base interactions energy: -527.919
where: short stacking energy: -234.720
Base-Backbone interact. energy: -0.033
local terms energy: -243.558050
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -54.919
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -63.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -723.132398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.132398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.132398 (E_RNA)
where:
Base-Base interactions energy: -494.054
where: short stacking energy: -217.207
Base-Backbone interact. energy: -0.101
local terms energy: -228.977222
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -59.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -653.581098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.581098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.581098 (E_RNA)
where:
Base-Base interactions energy: -428.386
where: short stacking energy: -192.204
Base-Backbone interact. energy: -1.836
local terms energy: -223.359214
where:
bonds (distance) C4'-P energy: -44.180
bonds (distance) P-C4' energy: -49.301
flat angles C4'-P-C4' energy: -52.727
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -46.168
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: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -455.594181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.594181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.594181 (E_RNA)
where:
Base-Base interactions energy: -264.395
where: short stacking energy: -142.478
Base-Backbone interact. energy: -1.249
local terms energy: -189.950358
where:
bonds (distance) C4'-P energy: -38.042
bonds (distance) P-C4' energy: -51.168
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -28.893
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -300.430813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.430813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.430813 (E_RNA)
where:
Base-Base interactions energy: -137.421
where: short stacking energy: -91.969
Base-Backbone interact. energy: -1.680
local terms energy: -161.330462
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -980.653575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.653575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.653575 (E_RNA)
where:
Base-Base interactions energy: -678.473
where: short stacking energy: -287.968
Base-Backbone interact. energy: -0.316
local terms energy: -301.864402
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -50.360
flat angles C4'-P-C4' energy: -60.260
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -91.410
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: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -934.834954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.834954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.834954 (E_RNA)
where:
Base-Base interactions energy: -642.624
where: short stacking energy: -282.823
Base-Backbone interact. energy: 0.262
local terms energy: -292.472755
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -49.380
flat angles C4'-P-C4' energy: -59.420
flat angles P-C4'-P energy: -46.413
tors. eta vs tors. theta energy: -82.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -914.825338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.825338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.825338 (E_RNA)
where:
Base-Base interactions energy: -646.022
where: short stacking energy: -293.232
Base-Backbone interact. energy: -0.844
local terms energy: -267.959419
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -44.340
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -83.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -845.376718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.376718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.376718 (E_RNA)
where:
Base-Base interactions energy: -581.159
where: short stacking energy: -233.087
Base-Backbone interact. energy: -1.957
local terms energy: -262.260823
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -48.649
flat angles C4'-P-C4' energy: -60.940
flat angles P-C4'-P energy: -36.744
tors. eta vs tors. theta energy: -66.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -817.691071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.691071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.691071 (E_RNA)
where:
Base-Base interactions energy: -561.512
where: short stacking energy: -252.668
Base-Backbone interact. energy: -0.210
local terms energy: -255.968361
where:
bonds (distance) C4'-P energy: -42.682
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: -72.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -752.974849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.974849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.974849 (E_RNA)
where:
Base-Base interactions energy: -491.744
where: short stacking energy: -204.799
Base-Backbone interact. energy: 3.178
local terms energy: -264.408318
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -53.667
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -39.105
tors. eta vs tors. theta energy: -55.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -725.929816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.929816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.929816 (E_RNA)
where:
Base-Base interactions energy: -500.955
where: short stacking energy: -206.948
Base-Backbone interact. energy: -0.438
local terms energy: -224.537382
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -38.859
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -37.874
tors. eta vs tors. theta energy: -52.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -648.308738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.308738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.308738 (E_RNA)
where:
Base-Base interactions energy: -431.691
where: short stacking energy: -175.062
Base-Backbone interact. energy: 0.189
local terms energy: -216.807054
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -48.256
flat angles C4'-P-C4' energy: -52.487
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -43.877
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -431.376039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.376039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.376039 (E_RNA)
where:
Base-Base interactions energy: -239.178
where: short stacking energy: -97.390
Base-Backbone interact. energy: -1.751
local terms energy: -190.447314
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -61.195
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -300.121531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.121531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.121531 (E_RNA)
where:
Base-Base interactions energy: -149.915
where: short stacking energy: -90.569
Base-Backbone interact. energy: -1.299
local terms energy: -148.907673
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -47.969
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -965.089972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.089972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.089972 (E_RNA)
where:
Base-Base interactions energy: -661.069
where: short stacking energy: -288.360
Base-Backbone interact. energy: -1.376
local terms energy: -302.645363
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -52.916
flat angles C4'-P-C4' energy: -63.794
flat angles P-C4'-P energy: -40.693
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: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -940.050594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.050594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.050594 (E_RNA)
where:
Base-Base interactions energy: -648.706
where: short stacking energy: -281.927
Base-Backbone interact. energy: 1.655
local terms energy: -292.999122
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -63.534
flat angles P-C4'-P energy: -48.436
tors. eta vs tors. theta energy: -85.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -908.826219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.826219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.826219 (E_RNA)
where:
Base-Base interactions energy: -618.687
where: short stacking energy: -278.233
Base-Backbone interact. energy: -0.738
local terms energy: -289.401007
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -55.984
flat angles C4'-P-C4' energy: -66.670
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -85.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -833.435402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.435402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.435402 (E_RNA)
where:
Base-Base interactions energy: -558.913
where: short stacking energy: -239.915
Base-Backbone interact. energy: -2.182
local terms energy: -272.340593
where:
bonds (distance) C4'-P energy: -55.063
bonds (distance) P-C4' energy: -60.089
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -37.660
tors. eta vs tors. theta energy: -62.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -811.868654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.868654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.868654 (E_RNA)
where:
Base-Base interactions energy: -560.814
where: short stacking energy: -238.513
Base-Backbone interact. energy: -1.823
local terms energy: -249.231819
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -55.614
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -68.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -773.115833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.115833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.115833 (E_RNA)
where:
Base-Base interactions energy: -537.595
where: short stacking energy: -213.607
Base-Backbone interact. energy: -2.233
local terms energy: -233.287943
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -57.126
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: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -741.459211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.459211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.459211 (E_RNA)
where:
Base-Base interactions energy: -501.563
where: short stacking energy: -207.473
Base-Backbone interact. energy: -1.717
local terms energy: -238.179452
where:
bonds (distance) C4'-P energy: -50.593
bonds (distance) P-C4' energy: -50.958
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -53.674
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: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -643.402642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.402642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.402642 (E_RNA)
where:
Base-Base interactions energy: -423.061
where: short stacking energy: -175.687
Base-Backbone interact. energy: 0.153
local terms energy: -220.494574
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -43.103
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -45.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -406.114895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.114895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.114895 (E_RNA)
where:
Base-Base interactions energy: -222.200
where: short stacking energy: -112.180
Base-Backbone interact. energy: -0.716
local terms energy: -183.198846
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -42.860
flat angles P-C4'-P energy: -27.390
tors. eta vs tors. theta energy: -22.522
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: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -295.439876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.439876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.439876 (E_RNA)
where:
Base-Base interactions energy: -117.059
where: short stacking energy: -80.906
Base-Backbone interact. energy: -1.403
local terms energy: -176.977904
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -47.871
flat angles C4'-P-C4' energy: -48.984
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -969.246316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.246316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.246316 (E_RNA)
where:
Base-Base interactions energy: -660.700
where: short stacking energy: -294.092
Base-Backbone interact. energy: -1.313
local terms energy: -307.232815
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -64.338
flat angles P-C4'-P energy: -44.726
tors. eta vs tors. theta energy: -91.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -932.464519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.464519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.464519 (E_RNA)
where:
Base-Base interactions energy: -638.858
where: short stacking energy: -264.230
Base-Backbone interact. energy: -1.018
local terms energy: -292.588130
where:
bonds (distance) C4'-P energy: -54.399
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -82.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -889.106146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.106146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.106146 (E_RNA)
where:
Base-Base interactions energy: -599.947
where: short stacking energy: -270.699
Base-Backbone interact. energy: -0.687
local terms energy: -288.472532
where:
bonds (distance) C4'-P energy: -52.078
bonds (distance) P-C4' energy: -58.327
flat angles C4'-P-C4' energy: -65.174
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -81.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -832.045905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.045905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.045905 (E_RNA)
where:
Base-Base interactions energy: -554.341
where: short stacking energy: -244.232
Base-Backbone interact. energy: -0.173
local terms energy: -277.532067
where:
bonds (distance) C4'-P energy: -47.224
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -55.947
flat angles P-C4'-P energy: -42.965
tors. eta vs tors. theta energy: -78.103
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: 426
Temperature: 1.100000
Total energy: -802.944195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.944195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.944195 (E_RNA)
where:
Base-Base interactions energy: -546.860
where: short stacking energy: -219.507
Base-Backbone interact. energy: -0.917
local terms energy: -255.167326
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -55.671
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -42.014
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: 6, replica: 2
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -810.031045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.031045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.031045 (E_RNA)
where:
Base-Base interactions energy: -556.890
where: short stacking energy: -231.539
Base-Backbone interact. energy: -0.645
local terms energy: -252.495528
where:
bonds (distance) C4'-P energy: -43.314
bonds (distance) P-C4' energy: -60.785
flat angles C4'-P-C4' energy: -46.741
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -67.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -739.452958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.452958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.452958 (E_RNA)
where:
Base-Base interactions energy: -506.034
where: short stacking energy: -220.789
Base-Backbone interact. energy: -0.940
local terms energy: -232.478190
where:
bonds (distance) C4'-P energy: -50.558
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -58.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -620.109450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.109450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.109450 (E_RNA)
where:
Base-Base interactions energy: -429.684
where: short stacking energy: -180.515
Base-Backbone interact. energy: -0.542
local terms energy: -189.883999
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -24.705
tors. eta vs tors. theta energy: -44.223
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: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -369.260135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.260135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.260135 (E_RNA)
where:
Base-Base interactions energy: -192.981
where: short stacking energy: -100.802
Base-Backbone interact. energy: -0.979
local terms energy: -175.300218
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -278.010698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.010698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.010698 (E_RNA)
where:
Base-Base interactions energy: -142.509
where: short stacking energy: -93.845
Base-Backbone interact. energy: 2.206
local terms energy: -137.707625
where:
bonds (distance) C4'-P energy: -35.641
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -18.446
tors. eta vs tors. theta energy: -3.889
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: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -968.822902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.822902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.822902 (E_RNA)
where:
Base-Base interactions energy: -669.201
where: short stacking energy: -292.718
Base-Backbone interact. energy: 0.785
local terms energy: -300.406624
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -88.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -923.314673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.314673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.314673 (E_RNA)
where:
Base-Base interactions energy: -641.763
where: short stacking energy: -277.723
Base-Backbone interact. energy: 2.805
local terms energy: -284.356705
where:
bonds (distance) C4'-P energy: -45.925
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -40.583
tors. eta vs tors. theta energy: -85.703
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: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -876.940603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.940603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.940603 (E_RNA)
where:
Base-Base interactions energy: -602.891
where: short stacking energy: -266.721
Base-Backbone interact. energy: -0.468
local terms energy: -273.582414
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -45.484
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -44.722
tors. eta vs tors. theta energy: -78.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -835.055958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.055958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.055958 (E_RNA)
where:
Base-Base interactions energy: -562.247
where: short stacking energy: -252.857
Base-Backbone interact. energy: -1.292
local terms energy: -271.516867
where:
bonds (distance) C4'-P energy: -58.315
bonds (distance) P-C4' energy: -49.095
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -72.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -819.741298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.741298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.741298 (E_RNA)
where:
Base-Base interactions energy: -562.762
where: short stacking energy: -258.004
Base-Backbone interact. energy: -0.309
local terms energy: -256.670298
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -36.034
flat angles C4'-P-C4' energy: -58.676
flat angles P-C4'-P energy: -34.491
tors. eta vs tors. theta energy: -71.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -816.573645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.573645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.573645 (E_RNA)
where:
Base-Base interactions energy: -555.438
where: short stacking energy: -233.565
Base-Backbone interact. energy: -0.756
local terms energy: -260.379475
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -55.850
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -66.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -715.574749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.574749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.574749 (E_RNA)
where:
Base-Base interactions energy: -469.104
where: short stacking energy: -183.179
Base-Backbone interact. energy: -1.100
local terms energy: -245.371026
where:
bonds (distance) C4'-P energy: -49.191
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -53.240
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -66.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -619.075296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.075296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.075296 (E_RNA)
where:
Base-Base interactions energy: -403.677
where: short stacking energy: -181.568
Base-Backbone interact. energy: -0.883
local terms energy: -214.514861
where:
bonds (distance) C4'-P energy: -49.702
bonds (distance) P-C4' energy: -47.291
flat angles C4'-P-C4' energy: -57.368
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -35.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -432.794212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.794212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.794212 (E_RNA)
where:
Base-Base interactions energy: -264.506
where: short stacking energy: -115.380
Base-Backbone interact. energy: 0.358
local terms energy: -168.646264
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -44.610
flat angles C4'-P-C4' energy: -41.975
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -16.151
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: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -236.714193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.714193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.714193 (E_RNA)
where:
Base-Base interactions energy: -79.675
where: short stacking energy: -69.166
Base-Backbone interact. energy: 0.360
local terms energy: -157.400044
where:
bonds (distance) C4'-P energy: -45.251
bonds (distance) P-C4' energy: -45.728
flat angles C4'-P-C4' energy: -41.624
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: 2.257
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: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -955.504768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.504768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.504768 (E_RNA)
where:
Base-Base interactions energy: -659.912
where: short stacking energy: -284.214
Base-Backbone interact. energy: -1.169
local terms energy: -294.424201
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -46.991
tors. eta vs tors. theta energy: -85.001
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: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -927.816118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.816118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.816118 (E_RNA)
where:
Base-Base interactions energy: -655.467
where: short stacking energy: -293.248
Base-Backbone interact. energy: 1.136
local terms energy: -273.485161
where:
bonds (distance) C4'-P energy: -43.196
bonds (distance) P-C4' energy: -47.340
flat angles C4'-P-C4' energy: -62.352
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -80.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -913.182325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.182325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.182325 (E_RNA)
where:
Base-Base interactions energy: -639.354
where: short stacking energy: -281.777
Base-Backbone interact. energy: -1.538
local terms energy: -272.290445
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -56.625
flat angles C4'-P-C4' energy: -49.049
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -80.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -822.348398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.348398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.348398 (E_RNA)
where:
Base-Base interactions energy: -573.631
where: short stacking energy: -244.644
Base-Backbone interact. energy: 1.558
local terms energy: -250.275020
where:
bonds (distance) C4'-P energy: -44.482
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -49.136
flat angles P-C4'-P energy: -36.436
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: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -820.203883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.203883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.203883 (E_RNA)
where:
Base-Base interactions energy: -558.774
where: short stacking energy: -256.734
Base-Backbone interact. energy: 1.151
local terms energy: -262.580872
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -55.361
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -74.685
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: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -779.594414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.594414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.594414 (E_RNA)
where:
Base-Base interactions energy: -553.188
where: short stacking energy: -217.753
Base-Backbone interact. energy: -0.311
local terms energy: -226.095622
where:
bonds (distance) C4'-P energy: -35.968
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -36.484
tors. eta vs tors. theta energy: -62.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -723.570217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.570217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.570217 (E_RNA)
where:
Base-Base interactions energy: -498.753
where: short stacking energy: -218.954
Base-Backbone interact. energy: 3.220
local terms energy: -228.037969
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -43.754
flat angles C4'-P-C4' energy: -49.377
flat angles P-C4'-P energy: -35.450
tors. eta vs tors. theta energy: -54.353
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: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -676.980975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.980975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.980975 (E_RNA)
where:
Base-Base interactions energy: -443.485
where: short stacking energy: -177.738
Base-Backbone interact. energy: 1.281
local terms energy: -234.776661
where:
bonds (distance) C4'-P energy: -51.193
bonds (distance) P-C4' energy: -52.033
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -45.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -451.294391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.294391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.294391 (E_RNA)
where:
Base-Base interactions energy: -270.314
where: short stacking energy: -134.058
Base-Backbone interact. energy: -0.898
local terms energy: -180.083245
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -43.855
flat angles C4'-P-C4' energy: -46.082
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -22.237
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -235.233855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.233855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.233855 (E_RNA)
where:
Base-Base interactions energy: -106.030
where: short stacking energy: -63.243
Base-Backbone interact. energy: -1.256
local terms energy: -127.948046
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -38.005
flat angles C4'-P-C4' energy: -32.625
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: 4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -965.836997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.836997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.836997 (E_RNA)
where:
Base-Base interactions energy: -673.511
where: short stacking energy: -289.771
Base-Backbone interact. energy: -0.856
local terms energy: -291.470424
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -52.465
flat angles C4'-P-C4' energy: -63.196
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -85.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -918.591967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.591967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.591967 (E_RNA)
where:
Base-Base interactions energy: -619.894
where: short stacking energy: -278.561
Base-Backbone interact. energy: -1.155
local terms energy: -297.543197
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -84.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -923.609791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.609791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.609791 (E_RNA)
where:
Base-Base interactions energy: -654.019
where: short stacking energy: -275.744
Base-Backbone interact. energy: -1.223
local terms energy: -268.367437
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -62.959
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -79.073
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: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -848.647679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.647679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.647679 (E_RNA)
where:
Base-Base interactions energy: -588.667
where: short stacking energy: -253.175
Base-Backbone interact. energy: -0.417
local terms energy: -259.563475
where:
bonds (distance) C4'-P energy: -43.646
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -75.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -794.726003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.726003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.726003 (E_RNA)
where:
Base-Base interactions energy: -538.097
where: short stacking energy: -219.337
Base-Backbone interact. energy: -0.571
local terms energy: -256.058207
where:
bonds (distance) C4'-P energy: -49.195
bonds (distance) P-C4' energy: -47.187
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -66.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -763.405758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.405758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.405758 (E_RNA)
where:
Base-Base interactions energy: -511.883
where: short stacking energy: -235.496
Base-Backbone interact. energy: 0.009
local terms energy: -251.531525
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -59.774
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: -60.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -698.651143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.651143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.651143 (E_RNA)
where:
Base-Base interactions energy: -466.526
where: short stacking energy: -191.705
Base-Backbone interact. energy: -0.330
local terms energy: -231.795819
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -44.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -669.723609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.723609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.723609 (E_RNA)
where:
Base-Base interactions energy: -471.948
where: short stacking energy: -189.005
Base-Backbone interact. energy: -2.017
local terms energy: -195.758714
where:
bonds (distance) C4'-P energy: -34.101
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -39.903
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -44.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -342.534424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.534424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.534424 (E_RNA)
where:
Base-Base interactions energy: -182.961
where: short stacking energy: -71.673
Base-Backbone interact. energy: 0.780
local terms energy: -160.353614
where:
bonds (distance) C4'-P energy: -41.479
bonds (distance) P-C4' energy: -51.156
flat angles C4'-P-C4' energy: -42.801
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: 1.200
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: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -223.369420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.369420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.369420 (E_RNA)
where:
Base-Base interactions energy: -80.325
where: short stacking energy: -76.960
Base-Backbone interact. energy: -1.196
local terms energy: -141.847934
where:
bonds (distance) C4'-P energy: -42.720
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -22.380
tors. eta vs tors. theta energy: 1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -961.128077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.128077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.128077 (E_RNA)
where:
Base-Base interactions energy: -664.321
where: short stacking energy: -292.259
Base-Backbone interact. energy: -0.633
local terms energy: -296.173871
where:
bonds (distance) C4'-P energy: -60.045
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -62.658
flat angles P-C4'-P energy: -33.691
tors. eta vs tors. theta energy: -88.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -920.004201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.004201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.004201 (E_RNA)
where:
Base-Base interactions energy: -623.501
where: short stacking energy: -268.778
Base-Backbone interact. energy: -1.033
local terms energy: -295.470910
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -59.379
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -80.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -913.799171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.799171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.799171 (E_RNA)
where:
Base-Base interactions energy: -634.247
where: short stacking energy: -264.967
Base-Backbone interact. energy: 1.600
local terms energy: -281.152602
where:
bonds (distance) C4'-P energy: -45.034
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -43.156
tors. eta vs tors. theta energy: -80.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -829.948591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.948591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.948591 (E_RNA)
where:
Base-Base interactions energy: -566.880
where: short stacking energy: -253.992
Base-Backbone interact. energy: -0.881
local terms energy: -262.186976
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -53.610
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -68.265
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -813.188163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.188163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.188163 (E_RNA)
where:
Base-Base interactions energy: -553.605
where: short stacking energy: -250.109
Base-Backbone interact. energy: 0.062
local terms energy: -259.645271
where:
bonds (distance) C4'-P energy: -54.001
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -49.296
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -68.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -783.216405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.216405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.216405 (E_RNA)
where:
Base-Base interactions energy: -518.653
where: short stacking energy: -223.433
Base-Backbone interact. energy: -1.205
local terms energy: -263.357702
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -60.827
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: -63.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -722.740093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.740093 (E_RNA)
where:
Base-Base interactions energy: -485.523
where: short stacking energy: -198.932
Base-Backbone interact. energy: -0.503
local terms energy: -236.714604
where:
bonds (distance) C4'-P energy: -40.034
bonds (distance) P-C4' energy: -56.200
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -28.463
tors. eta vs tors. theta energy: -56.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -688.113521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.113521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.113521 (E_RNA)
where:
Base-Base interactions energy: -468.690
where: short stacking energy: -188.825
Base-Backbone interact. energy: 3.611
local terms energy: -223.035383
where:
bonds (distance) C4'-P energy: -51.882
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -43.478
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -50.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -374.884196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.884196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.884196 (E_RNA)
where:
Base-Base interactions energy: -207.504
where: short stacking energy: -113.244
Base-Backbone interact. energy: -0.548
local terms energy: -166.832539
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -52.216
flat angles C4'-P-C4' energy: -34.165
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -20.180
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -225.926562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.926562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.926562 (E_RNA)
where:
Base-Base interactions energy: -72.900
where: short stacking energy: -60.453
Base-Backbone interact. energy: -1.185
local terms energy: -151.841997
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -50.515
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: 13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -968.638188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.638188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.638188 (E_RNA)
where:
Base-Base interactions energy: -654.619
where: short stacking energy: -294.098
Base-Backbone interact. energy: 0.603
local terms energy: -314.622083
where:
bonds (distance) C4'-P energy: -58.348
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -92.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -911.462003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.462003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.462003 (E_RNA)
where:
Base-Base interactions energy: -626.063
where: short stacking energy: -273.248
Base-Backbone interact. energy: -1.250
local terms energy: -284.149462
where:
bonds (distance) C4'-P energy: -50.350
bonds (distance) P-C4' energy: -50.697
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: -81.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -914.544815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.544815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.544815 (E_RNA)
where:
Base-Base interactions energy: -627.465
where: short stacking energy: -264.997
Base-Backbone interact. energy: -0.991
local terms energy: -286.088538
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -59.201
flat angles C4'-P-C4' energy: -57.143
flat angles P-C4'-P energy: -47.399
tors. eta vs tors. theta energy: -74.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -791.684583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.684583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.684583 (E_RNA)
where:
Base-Base interactions energy: -521.116
where: short stacking energy: -228.386
Base-Backbone interact. energy: -0.516
local terms energy: -270.052952
where:
bonds (distance) C4'-P energy: -35.414
bonds (distance) P-C4' energy: -55.042
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -74.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -817.637814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.637814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.637814 (E_RNA)
where:
Base-Base interactions energy: -560.111
where: short stacking energy: -245.965
Base-Backbone interact. energy: -2.206
local terms energy: -255.320893
where:
bonds (distance) C4'-P energy: -36.758
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -49.032
tors. eta vs tors. theta energy: -71.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -754.692866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.692866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.692866 (E_RNA)
where:
Base-Base interactions energy: -519.372
where: short stacking energy: -196.220
Base-Backbone interact. energy: -1.012
local terms energy: -234.308514
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -55.124
flat angles C4'-P-C4' energy: -45.715
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -52.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -753.033400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.033400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.033400 (E_RNA)
where:
Base-Base interactions energy: -506.635
where: short stacking energy: -217.199
Base-Backbone interact. energy: -0.404
local terms energy: -245.994252
where:
bonds (distance) C4'-P energy: -55.878
bonds (distance) P-C4' energy: -41.580
flat angles C4'-P-C4' energy: -46.825
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -61.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -664.461702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.461702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.461702 (E_RNA)
where:
Base-Base interactions energy: -451.620
where: short stacking energy: -197.625
Base-Backbone interact. energy: 0.625
local terms energy: -213.466895
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -49.052
flat angles P-C4'-P energy: -37.018
tors. eta vs tors. theta energy: -50.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -402.380195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.380195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.380195 (E_RNA)
where:
Base-Base interactions energy: -217.392
where: short stacking energy: -119.029
Base-Backbone interact. energy: 0.235
local terms energy: -185.223479
where:
bonds (distance) C4'-P energy: -48.678
bonds (distance) P-C4' energy: -45.689
flat angles C4'-P-C4' energy: -47.526
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -221.174432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.174432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.174432 (E_RNA)
where:
Base-Base interactions energy: -77.408
where: short stacking energy: -67.240
Base-Backbone interact. energy: -2.024
local terms energy: -141.743003
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -45.980
flat angles C4'-P-C4' energy: -35.195
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: 10.954
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: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -974.257363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.257363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.257363 (E_RNA)
where:
Base-Base interactions energy: -666.688
where: short stacking energy: -292.268
Base-Backbone interact. energy: -0.225
local terms energy: -307.344897
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -54.891
flat angles C4'-P-C4' energy: -68.311
flat angles P-C4'-P energy: -45.469
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: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -919.511638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.511638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.511638 (E_RNA)
where:
Base-Base interactions energy: -627.719
where: short stacking energy: -266.532
Base-Backbone interact. energy: -0.050
local terms energy: -291.742876
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -55.851
flat angles P-C4'-P energy: -46.631
tors. eta vs tors. theta energy: -76.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -916.449302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.449302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.449302 (E_RNA)
where:
Base-Base interactions energy: -645.432
where: short stacking energy: -272.439
Base-Backbone interact. energy: -1.050
local terms energy: -269.967502
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -53.337
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -38.109
tors. eta vs tors. theta energy: -78.030
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: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -803.495954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.495954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.495954 (E_RNA)
where:
Base-Base interactions energy: -542.215
where: short stacking energy: -255.265
Base-Backbone interact. energy: 0.194
local terms energy: -261.474624
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -51.587
flat angles C4'-P-C4' energy: -51.622
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -72.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -788.328495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.328495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.328495 (E_RNA)
where:
Base-Base interactions energy: -548.780
where: short stacking energy: -241.367
Base-Backbone interact. energy: -1.303
local terms energy: -238.245399
where:
bonds (distance) C4'-P energy: -54.374
bonds (distance) P-C4' energy: -51.034
flat angles C4'-P-C4' energy: -39.463
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -65.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -749.845700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.845700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.845700 (E_RNA)
where:
Base-Base interactions energy: -530.613
where: short stacking energy: -215.794
Base-Backbone interact. energy: -0.575
local terms energy: -218.658397
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -49.395
flat angles P-C4'-P energy: -29.443
tors. eta vs tors. theta energy: -52.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -742.662552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.662552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.662552 (E_RNA)
where:
Base-Base interactions energy: -505.351
where: short stacking energy: -228.260
Base-Backbone interact. energy: -0.952
local terms energy: -236.359319
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -52.184
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -59.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -686.520510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.520510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.520510 (E_RNA)
where:
Base-Base interactions energy: -454.258
where: short stacking energy: -193.615
Base-Backbone interact. energy: -1.207
local terms energy: -231.055926
where:
bonds (distance) C4'-P energy: -44.611
bonds (distance) P-C4' energy: -42.532
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -61.285
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: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -364.748754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.748754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.748754 (E_RNA)
where:
Base-Base interactions energy: -206.026
where: short stacking energy: -112.397
Base-Backbone interact. energy: -0.866
local terms energy: -157.857022
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -41.367
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -234.945713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.945713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.945713 (E_RNA)
where:
Base-Base interactions energy: -84.525
where: short stacking energy: -70.363
Base-Backbone interact. energy: 1.267
local terms energy: -151.687530
where:
bonds (distance) C4'-P energy: -38.178
bonds (distance) P-C4' energy: -46.689
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -973.543167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.543167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.543167 (E_RNA)
where:
Base-Base interactions energy: -663.417
where: short stacking energy: -290.667
Base-Backbone interact. energy: -0.930
local terms energy: -309.196238
where:
bonds (distance) C4'-P energy: -49.683
bonds (distance) P-C4' energy: -60.663
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -43.951
tors. eta vs tors. theta energy: -91.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -918.587504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.587504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.587504 (E_RNA)
where:
Base-Base interactions energy: -632.823
where: short stacking energy: -268.943
Base-Backbone interact. energy: -0.295
local terms energy: -285.469199
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -56.110
flat angles C4'-P-C4' energy: -56.769
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -79.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -909.372201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.372201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.372201 (E_RNA)
where:
Base-Base interactions energy: -642.299
where: short stacking energy: -276.342
Base-Backbone interact. energy: -0.617
local terms energy: -266.455448
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -46.629
flat angles C4'-P-C4' energy: -58.547
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -80.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -790.051055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.051055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.051055 (E_RNA)
where:
Base-Base interactions energy: -537.876
where: short stacking energy: -245.324
Base-Backbone interact. energy: -0.226
local terms energy: -251.949374
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -60.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -787.668345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.668345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.668345 (E_RNA)
where:
Base-Base interactions energy: -523.099
where: short stacking energy: -224.264
Base-Backbone interact. energy: 1.180
local terms energy: -265.749272
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -70.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -795.781448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.781448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.781448 (E_RNA)
where:
Base-Base interactions energy: -538.559
where: short stacking energy: -216.415
Base-Backbone interact. energy: -0.792
local terms energy: -256.430924
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -50.333
flat angles C4'-P-C4' energy: -52.714
flat angles P-C4'-P energy: -39.165
tors. eta vs tors. theta energy: -67.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -701.430361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.430361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.430361 (E_RNA)
where:
Base-Base interactions energy: -490.535
where: short stacking energy: -199.767
Base-Backbone interact. energy: -0.672
local terms energy: -210.222565
where:
bonds (distance) C4'-P energy: -45.123
bonds (distance) P-C4' energy: -42.437
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -48.795
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: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -683.827772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.827772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.827772 (E_RNA)
where:
Base-Base interactions energy: -459.405
where: short stacking energy: -186.671
Base-Backbone interact. energy: 0.298
local terms energy: -224.720597
where:
bonds (distance) C4'-P energy: -46.404
bonds (distance) P-C4' energy: -46.736
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -51.739
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: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -356.602616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.602616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.602616 (E_RNA)
where:
Base-Base interactions energy: -174.243
where: short stacking energy: -83.600
Base-Backbone interact. energy: 1.315
local terms energy: -183.674688
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -42.434
flat angles P-C4'-P energy: -26.581
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -240.276653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.276653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.276653 (E_RNA)
where:
Base-Base interactions energy: -75.658
where: short stacking energy: -63.361
Base-Backbone interact. energy: -1.233
local terms energy: -163.385624
where:
bonds (distance) C4'-P energy: -45.499
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -28.018
tors. eta vs tors. theta energy: 0.034
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: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -958.616169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.616169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.616169 (E_RNA)
where:
Base-Base interactions energy: -657.548
where: short stacking energy: -293.720
Base-Backbone interact. energy: 3.698
local terms energy: -304.765259
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -48.922
flat angles C4'-P-C4' energy: -62.599
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -91.781
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: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -945.444922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.444922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.444922 (E_RNA)
where:
Base-Base interactions energy: -650.812
where: short stacking energy: -284.850
Base-Backbone interact. energy: 2.478
local terms energy: -297.110734
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -56.825
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -86.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -908.273230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.273230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.273230 (E_RNA)
where:
Base-Base interactions energy: -628.660
where: short stacking energy: -274.500
Base-Backbone interact. energy: -1.093
local terms energy: -278.520029
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -56.633
flat angles P-C4'-P energy: -45.020
tors. eta vs tors. theta energy: -82.432
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: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -806.974756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.974756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.974756 (E_RNA)
where:
Base-Base interactions energy: -559.768
where: short stacking energy: -250.212
Base-Backbone interact. energy: -0.887
local terms energy: -246.318981
where:
bonds (distance) C4'-P energy: -30.056
bonds (distance) P-C4' energy: -47.920
flat angles C4'-P-C4' energy: -52.052
flat angles P-C4'-P energy: -43.018
tors. eta vs tors. theta energy: -73.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -805.618586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.618586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.618586 (E_RNA)
where:
Base-Base interactions energy: -544.914
where: short stacking energy: -237.601
Base-Backbone interact. energy: -0.624
local terms energy: -260.079894
where:
bonds (distance) C4'-P energy: -53.222
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -52.044
flat angles P-C4'-P energy: -44.949
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -759.228147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.228147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.228147 (E_RNA)
where:
Base-Base interactions energy: -514.193
where: short stacking energy: -222.825
Base-Backbone interact. energy: -0.497
local terms energy: -244.537749
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -53.132
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -53.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -688.429066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.429066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.429066 (E_RNA)
where:
Base-Base interactions energy: -460.871
where: short stacking energy: -195.731
Base-Backbone interact. energy: -0.066
local terms energy: -227.492487
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -59.020
flat angles P-C4'-P energy: -29.283
tors. eta vs tors. theta energy: -55.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -680.191388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.191388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.191388 (E_RNA)
where:
Base-Base interactions energy: -466.219
where: short stacking energy: -200.500
Base-Backbone interact. energy: -0.782
local terms energy: -213.190464
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -40.251
flat angles C4'-P-C4' energy: -51.352
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -45.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -375.100112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.100112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.100112 (E_RNA)
where:
Base-Base interactions energy: -207.317
where: short stacking energy: -104.273
Base-Backbone interact. energy: -1.220
local terms energy: -166.563219
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -46.086
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -216.476594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.476594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.476594 (E_RNA)
where:
Base-Base interactions energy: -75.724
where: short stacking energy: -62.545
Base-Backbone interact. energy: 0.703
local terms energy: -141.455576
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -968.092083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.092083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.092083 (E_RNA)
where:
Base-Base interactions energy: -664.717
where: short stacking energy: -291.299
Base-Backbone interact. energy: -0.808
local terms energy: -302.566306
where:
bonds (distance) C4'-P energy: -55.921
bonds (distance) P-C4' energy: -56.361
flat angles C4'-P-C4' energy: -63.027
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -86.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -940.311698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.311698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.311698 (E_RNA)
where:
Base-Base interactions energy: -648.067
where: short stacking energy: -277.320
Base-Backbone interact. energy: -2.164
local terms energy: -290.081265
where:
bonds (distance) C4'-P energy: -46.217
bonds (distance) P-C4' energy: -60.901
flat angles C4'-P-C4' energy: -59.442
flat angles P-C4'-P energy: -40.677
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -885.897429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.897429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.897429 (E_RNA)
where:
Base-Base interactions energy: -620.057
where: short stacking energy: -267.119
Base-Backbone interact. energy: 5.900
local terms energy: -271.740230
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -58.252
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -79.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -821.685370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.685370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.685370 (E_RNA)
where:
Base-Base interactions energy: -562.535
where: short stacking energy: -251.904
Base-Backbone interact. energy: -0.358
local terms energy: -258.791984
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -54.287
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -74.744
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: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -835.775935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.775935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.775935 (E_RNA)
where:
Base-Base interactions energy: -568.056
where: short stacking energy: -249.780
Base-Backbone interact. energy: -0.510
local terms energy: -267.209940
where:
bonds (distance) C4'-P energy: -49.946
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -76.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -790.221294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.221294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.221294 (E_RNA)
where:
Base-Base interactions energy: -530.289
where: short stacking energy: -231.621
Base-Backbone interact. energy: -1.159
local terms energy: -258.772597
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -52.654
flat angles C4'-P-C4' energy: -48.518
flat angles P-C4'-P energy: -49.838
tors. eta vs tors. theta energy: -60.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -673.998579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.998579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.998579 (E_RNA)
where:
Base-Base interactions energy: -447.290
where: short stacking energy: -195.531
Base-Backbone interact. energy: 0.688
local terms energy: -227.397185
where:
bonds (distance) C4'-P energy: -54.478
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -50.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -684.664105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.664105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.664105 (E_RNA)
where:
Base-Base interactions energy: -479.502
where: short stacking energy: -203.252
Base-Backbone interact. energy: -0.532
local terms energy: -204.629748
where:
bonds (distance) C4'-P energy: -34.849
bonds (distance) P-C4' energy: -41.655
flat angles C4'-P-C4' energy: -45.536
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -51.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -379.148532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.148532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.148532 (E_RNA)
where:
Base-Base interactions energy: -206.109
where: short stacking energy: -124.568
Base-Backbone interact. energy: -1.791
local terms energy: -171.248305
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -207.223538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.223538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.223538 (E_RNA)
where:
Base-Base interactions energy: -61.129
where: short stacking energy: -50.116
Base-Backbone interact. energy: 1.528
local terms energy: -147.622397
where:
bonds (distance) C4'-P energy: -55.113
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: 10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -966.587126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.587126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.587126 (E_RNA)
where:
Base-Base interactions energy: -664.196
where: short stacking energy: -291.422
Base-Backbone interact. energy: -1.098
local terms energy: -301.292605
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -59.797
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -86.925
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: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -938.844975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.844975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.844975 (E_RNA)
where:
Base-Base interactions energy: -647.177
where: short stacking energy: -273.252
Base-Backbone interact. energy: -1.216
local terms energy: -290.452247
where:
bonds (distance) C4'-P energy: -52.008
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -45.858
tors. eta vs tors. theta energy: -78.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -895.513899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.513899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.513899 (E_RNA)
where:
Base-Base interactions energy: -619.417
where: short stacking energy: -264.631
Base-Backbone interact. energy: 0.276
local terms energy: -276.373021
where:
bonds (distance) C4'-P energy: -49.680
bonds (distance) P-C4' energy: -51.528
flat angles C4'-P-C4' energy: -60.776
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -74.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -827.665192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.665192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.665192 (E_RNA)
where:
Base-Base interactions energy: -561.452
where: short stacking energy: -247.195
Base-Backbone interact. energy: 1.517
local terms energy: -267.730173
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -50.878
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -38.547
tors. eta vs tors. theta energy: -64.553
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: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -801.351777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.351777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.351777 (E_RNA)
where:
Base-Base interactions energy: -542.245
where: short stacking energy: -229.393
Base-Backbone interact. energy: 0.185
local terms energy: -259.291765
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -49.554
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: -67.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -754.316023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.316023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.316023 (E_RNA)
where:
Base-Base interactions energy: -510.838
where: short stacking energy: -219.684
Base-Backbone interact. energy: -1.809
local terms energy: -241.668344
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -55.787
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -64.926
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -685.924925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.924925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.924925 (E_RNA)
where:
Base-Base interactions energy: -461.050
where: short stacking energy: -195.771
Base-Backbone interact. energy: -2.649
local terms energy: -222.225661
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -39.097
flat angles C4'-P-C4' energy: -52.104
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -49.031
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: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -676.407971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.407971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.407971 (E_RNA)
where:
Base-Base interactions energy: -436.590
where: short stacking energy: -188.096
Base-Backbone interact. energy: -1.199
local terms energy: -238.618270
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -52.058
flat angles C4'-P-C4' energy: -54.350
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -52.825
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -350.734425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.734425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.734425 (E_RNA)
where:
Base-Base interactions energy: -200.172
where: short stacking energy: -104.631
Base-Backbone interact. energy: -0.252
local terms energy: -150.310029
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -227.354603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.354603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.354603 (E_RNA)
where:
Base-Base interactions energy: -85.543
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.753
local terms energy: -141.058105
where:
bonds (distance) C4'-P energy: -38.756
bonds (distance) P-C4' energy: -36.828
flat angles C4'-P-C4' energy: -47.874
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -0.001
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: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -964.627209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.627209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.627209 (E_RNA)
where:
Base-Base interactions energy: -669.990
where: short stacking energy: -290.498
Base-Backbone interact. energy: -1.303
local terms energy: -293.334361
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -40.628
tors. eta vs tors. theta energy: -87.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -946.967227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.967227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.967227 (E_RNA)
where:
Base-Base interactions energy: -662.430
where: short stacking energy: -275.021
Base-Backbone interact. energy: -0.821
local terms energy: -283.716798
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -52.110
flat angles C4'-P-C4' energy: -62.222
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -77.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -894.797865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.797865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.797865 (E_RNA)
where:
Base-Base interactions energy: -613.998
where: short stacking energy: -260.565
Base-Backbone interact. energy: -2.191
local terms energy: -278.608881
where:
bonds (distance) C4'-P energy: -55.229
bonds (distance) P-C4' energy: -44.238
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -80.260
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: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -835.214535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.214535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.214535 (E_RNA)
where:
Base-Base interactions energy: -562.618
where: short stacking energy: -245.375
Base-Backbone interact. energy: -0.136
local terms energy: -272.460272
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -56.692
flat angles C4'-P-C4' energy: -56.658
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -68.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -807.504111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.504111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.504111 (E_RNA)
where:
Base-Base interactions energy: -553.068
where: short stacking energy: -230.893
Base-Backbone interact. energy: 1.200
local terms energy: -255.636137
where:
bonds (distance) C4'-P energy: -50.759
bonds (distance) P-C4' energy: -51.886
flat angles C4'-P-C4' energy: -57.665
flat angles P-C4'-P energy: -31.783
tors. eta vs tors. theta energy: -63.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -765.100142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.100142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.100142 (E_RNA)
where:
Base-Base interactions energy: -509.427
where: short stacking energy: -216.185
Base-Backbone interact. energy: -0.741
local terms energy: -254.931796
where:
bonds (distance) C4'-P energy: -41.022
bonds (distance) P-C4' energy: -49.666
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -70.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -700.742090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.742090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.742090 (E_RNA)
where:
Base-Base interactions energy: -480.558
where: short stacking energy: -201.044
Base-Backbone interact. energy: -1.513
local terms energy: -218.670334
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -45.262
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -51.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -658.071291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.071291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.071291 (E_RNA)
where:
Base-Base interactions energy: -426.986
where: short stacking energy: -181.751
Base-Backbone interact. energy: -3.093
local terms energy: -227.991883
where:
bonds (distance) C4'-P energy: -46.384
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -53.248
flat angles P-C4'-P energy: -23.845
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: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -363.882362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.882362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.882362 (E_RNA)
where:
Base-Base interactions energy: -182.488
where: short stacking energy: -88.902
Base-Backbone interact. energy: 1.498
local terms energy: -182.892956
where:
bonds (distance) C4'-P energy: -52.200
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -44.452
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -12.404
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: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -214.933187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.933187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.933187 (E_RNA)
where:
Base-Base interactions energy: -79.555
where: short stacking energy: -70.552
Base-Backbone interact. energy: -2.741
local terms energy: -132.636895
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -42.026
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: 7.365
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: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -966.462863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.462863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.462863 (E_RNA)
where:
Base-Base interactions energy: -679.796
where: short stacking energy: -303.935
Base-Backbone interact. energy: -0.866
local terms energy: -285.801189
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -59.248
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -84.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -953.537870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.537870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.537870 (E_RNA)
where:
Base-Base interactions energy: -658.903
where: short stacking energy: -288.750
Base-Backbone interact. energy: -0.974
local terms energy: -293.660827
where:
bonds (distance) C4'-P energy: -45.645
bonds (distance) P-C4' energy: -52.332
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -89.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -918.148995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.148995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.148995 (E_RNA)
where:
Base-Base interactions energy: -621.425
where: short stacking energy: -268.038
Base-Backbone interact. energy: -1.284
local terms energy: -295.440087
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -46.706
tors. eta vs tors. theta energy: -75.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -853.802008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.802008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.802008 (E_RNA)
where:
Base-Base interactions energy: -587.522
where: short stacking energy: -253.487
Base-Backbone interact. energy: -0.308
local terms energy: -265.971790
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -56.638
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -38.295
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: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -806.085474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.085474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.085474 (E_RNA)
where:
Base-Base interactions energy: -536.847
where: short stacking energy: -244.831
Base-Backbone interact. energy: -1.214
local terms energy: -268.024777
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -56.125
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -72.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -783.968195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.968195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.968195 (E_RNA)
where:
Base-Base interactions energy: -536.131
where: short stacking energy: -235.142
Base-Backbone interact. energy: -0.483
local terms energy: -247.354921
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: -65.592
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: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -719.605408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.605408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.605408 (E_RNA)
where:
Base-Base interactions energy: -483.397
where: short stacking energy: -204.739
Base-Backbone interact. energy: 0.192
local terms energy: -236.400609
where:
bonds (distance) C4'-P energy: -47.885
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -46.224
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -60.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -640.825054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.825054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.825054 (E_RNA)
where:
Base-Base interactions energy: -425.439
where: short stacking energy: -181.558
Base-Backbone interact. energy: 0.400
local terms energy: -215.785562
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -46.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -233.430864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.430864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.430864 (E_RNA)
where:
Base-Base interactions energy: -77.895
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.363
local terms energy: -155.173339
where:
bonds (distance) C4'-P energy: -46.862
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -32.038
tors. eta vs tors. theta energy: 2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -371.418509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.418509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.418509 (E_RNA)
where:
Base-Base interactions energy: -206.766
where: short stacking energy: -109.554
Base-Backbone interact. energy: -0.803
local terms energy: -163.848617
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -1.712
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: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -959.050083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.050083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.050083 (E_RNA)
where:
Base-Base interactions energy: -672.492
where: short stacking energy: -282.629
Base-Backbone interact. energy: -1.564
local terms energy: -284.993817
where:
bonds (distance) C4'-P energy: -49.113
bonds (distance) P-C4' energy: -55.622
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -79.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -943.246323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.246323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.246323 (E_RNA)
where:
Base-Base interactions energy: -632.846
where: short stacking energy: -282.210
Base-Backbone interact. energy: -3.035
local terms energy: -307.365226
where:
bonds (distance) C4'-P energy: -58.997
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -83.861
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: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -912.685119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.685119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.685119 (E_RNA)
where:
Base-Base interactions energy: -631.546
where: short stacking energy: -281.870
Base-Backbone interact. energy: 1.772
local terms energy: -282.910875
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -46.140
flat angles C4'-P-C4' energy: -67.688
flat angles P-C4'-P energy: -45.231
tors. eta vs tors. theta energy: -78.603
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: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -805.739274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.739274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.739274 (E_RNA)
where:
Base-Base interactions energy: -546.594
where: short stacking energy: -245.609
Base-Backbone interact. energy: -0.423
local terms energy: -258.722143
where:
bonds (distance) C4'-P energy: -53.917
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -53.888
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -67.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -813.455082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.455082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.455082 (E_RNA)
where:
Base-Base interactions energy: -564.751
where: short stacking energy: -246.505
Base-Backbone interact. energy: -0.897
local terms energy: -247.807034
where:
bonds (distance) C4'-P energy: -45.194
bonds (distance) P-C4' energy: -48.632
flat angles C4'-P-C4' energy: -52.202
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -69.994
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: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -775.029288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.029288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.029288 (E_RNA)
where:
Base-Base interactions energy: -543.726
where: short stacking energy: -239.224
Base-Backbone interact. energy: -0.543
local terms energy: -230.760697
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -38.267
flat angles C4'-P-C4' energy: -49.477
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -63.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -723.783330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.783330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.783330 (E_RNA)
where:
Base-Base interactions energy: -498.208
where: short stacking energy: -222.341
Base-Backbone interact. energy: -1.464
local terms energy: -224.111917
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -51.092
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -58.497
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: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -635.748182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.748182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.748182 (E_RNA)
where:
Base-Base interactions energy: -417.177
where: short stacking energy: -174.009
Base-Backbone interact. energy: 0.007
local terms energy: -218.578310
where:
bonds (distance) C4'-P energy: -43.456
bonds (distance) P-C4' energy: -44.476
flat angles C4'-P-C4' energy: -50.059
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -48.172
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: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -247.738361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.738361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.738361 (E_RNA)
where:
Base-Base interactions energy: -111.369
where: short stacking energy: -74.894
Base-Backbone interact. energy: 1.629
local terms energy: -137.998150
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -44.925
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: 5.669
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -288.770065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.770065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.770065 (E_RNA)
where:
Base-Base interactions energy: -151.784
where: short stacking energy: -87.023
Base-Backbone interact. energy: -1.119
local terms energy: -135.866807
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -42.267
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: 3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -952.810424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.810424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.810424 (E_RNA)
where:
Base-Base interactions energy: -652.056
where: short stacking energy: -274.410
Base-Backbone interact. energy: -0.764
local terms energy: -299.989646
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -52.723
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -84.870
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -934.906149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.906149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.906149 (E_RNA)
where:
Base-Base interactions energy: -654.286
where: short stacking energy: -284.726
Base-Backbone interact. energy: -0.983
local terms energy: -279.636410
where:
bonds (distance) C4'-P energy: -47.372
bonds (distance) P-C4' energy: -51.263
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -87.365
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: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -894.000926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.000926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.000926 (E_RNA)
where:
Base-Base interactions energy: -610.900
where: short stacking energy: -273.628
Base-Backbone interact. energy: -1.833
local terms energy: -281.268020
where:
bonds (distance) C4'-P energy: -51.142
bonds (distance) P-C4' energy: -44.472
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -45.335
tors. eta vs tors. theta energy: -78.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -826.156381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.156381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.156381 (E_RNA)
where:
Base-Base interactions energy: -534.662
where: short stacking energy: -242.484
Base-Backbone interact. energy: -0.144
local terms energy: -291.349942
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -58.399
flat angles P-C4'-P energy: -45.228
tors. eta vs tors. theta energy: -71.924
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: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -781.719536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.719536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.719536 (E_RNA)
where:
Base-Base interactions energy: -530.197
where: short stacking energy: -237.006
Base-Backbone interact. energy: -0.640
local terms energy: -250.883119
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -39.050
tors. eta vs tors. theta energy: -63.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -795.365836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.365836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.365836 (E_RNA)
where:
Base-Base interactions energy: -539.088
where: short stacking energy: -237.413
Base-Backbone interact. energy: -0.207
local terms energy: -256.070585
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -54.724
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -70.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -678.414066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.414066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.414066 (E_RNA)
where:
Base-Base interactions energy: -445.148
where: short stacking energy: -195.497
Base-Backbone interact. energy: 2.592
local terms energy: -235.858022
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -48.845
flat angles P-C4'-P energy: -27.019
tors. eta vs tors. theta energy: -54.000
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: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -653.573515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.573515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.573515 (E_RNA)
where:
Base-Base interactions energy: -435.624
where: short stacking energy: -176.444
Base-Backbone interact. energy: -0.621
local terms energy: -217.328181
where:
bonds (distance) C4'-P energy: -48.504
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -24.524
tors. eta vs tors. theta energy: -43.868
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: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -226.969587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.969587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.969587 (E_RNA)
where:
Base-Base interactions energy: -87.291
where: short stacking energy: -70.727
Base-Backbone interact. energy: 4.508
local terms energy: -144.187110
where:
bonds (distance) C4'-P energy: -42.126
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -0.967
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: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -278.265039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.265039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.265039 (E_RNA)
where:
Base-Base interactions energy: -139.358
where: short stacking energy: -81.173
Base-Backbone interact. energy: -1.055
local terms energy: -137.851807
where:
bonds (distance) C4'-P energy: -45.178
bonds (distance) P-C4' energy: -38.761
flat angles C4'-P-C4' energy: -43.095
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: 6.806
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: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -960.470102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.470102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.470102 (E_RNA)
where:
Base-Base interactions energy: -659.830
where: short stacking energy: -288.737
Base-Backbone interact. energy: -0.872
local terms energy: -299.768059
where:
bonds (distance) C4'-P energy: -47.942
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -62.057
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -90.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -919.683438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.683438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.683438 (E_RNA)
where:
Base-Base interactions energy: -646.050
where: short stacking energy: -279.734
Base-Backbone interact. energy: -1.877
local terms energy: -271.755849
where:
bonds (distance) C4'-P energy: -47.312
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -52.363
flat angles P-C4'-P energy: -44.930
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: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -911.749607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.749607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.749607 (E_RNA)
where:
Base-Base interactions energy: -633.105
where: short stacking energy: -278.117
Base-Backbone interact. energy: -1.596
local terms energy: -277.048961
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -52.483
flat angles C4'-P-C4' energy: -51.290
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -84.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -813.030734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.030734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.030734 (E_RNA)
where:
Base-Base interactions energy: -575.881
where: short stacking energy: -252.884
Base-Backbone interact. energy: -0.734
local terms energy: -236.415456
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -50.017
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -60.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -765.402904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.402904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.402904 (E_RNA)
where:
Base-Base interactions energy: -526.745
where: short stacking energy: -229.275
Base-Backbone interact. energy: -1.656
local terms energy: -237.001982
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -52.952
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -61.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -787.250364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.250364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.250364 (E_RNA)
where:
Base-Base interactions energy: -547.681
where: short stacking energy: -231.428
Base-Backbone interact. energy: -0.357
local terms energy: -239.212741
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -71.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -672.037721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.037721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.037721 (E_RNA)
where:
Base-Base interactions energy: -460.189
where: short stacking energy: -201.681
Base-Backbone interact. energy: -0.365
local terms energy: -211.484503
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -49.520
flat angles P-C4'-P energy: -32.336
tors. eta vs tors. theta energy: -50.619
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: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -693.219910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.219910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.219910 (E_RNA)
where:
Base-Base interactions energy: -457.579
where: short stacking energy: -193.535
Base-Backbone interact. energy: -0.812
local terms energy: -234.828922
where:
bonds (distance) C4'-P energy: -51.910
bonds (distance) P-C4' energy: -52.380
flat angles C4'-P-C4' energy: -45.526
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -53.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -253.945270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.945270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.945270 (E_RNA)
where:
Base-Base interactions energy: -94.289
where: short stacking energy: -69.414
Base-Backbone interact. energy: -0.338
local terms energy: -159.318517
where:
bonds (distance) C4'-P energy: -39.630
bonds (distance) P-C4' energy: -54.185
flat angles C4'-P-C4' energy: -45.378
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -313.307485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.307485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.307485 (E_RNA)
where:
Base-Base interactions energy: -172.009
where: short stacking energy: -91.865
Base-Backbone interact. energy: -0.680
local terms energy: -140.618871
where:
bonds (distance) C4'-P energy: -38.512
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -49.899
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: 4.633
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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -951.401523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.401523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.401523 (E_RNA)
where:
Base-Base interactions energy: -636.061
where: short stacking energy: -277.653
Base-Backbone interact. energy: 0.355
local terms energy: -315.695988
where:
bonds (distance) C4'-P energy: -54.624
bonds (distance) P-C4' energy: -63.322
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -86.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -959.087290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.087290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.087290 (E_RNA)
where:
Base-Base interactions energy: -663.116
where: short stacking energy: -290.725
Base-Backbone interact. energy: -1.226
local terms energy: -294.744773
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -56.253
flat angles C4'-P-C4' energy: -50.860
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -87.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -911.268862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.268862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.268862 (E_RNA)
where:
Base-Base interactions energy: -628.462
where: short stacking energy: -265.869
Base-Backbone interact. energy: -0.942
local terms energy: -281.864797
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -44.758
flat angles C4'-P-C4' energy: -64.854
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -81.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -804.013362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.013362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.013362 (E_RNA)
where:
Base-Base interactions energy: -548.958
where: short stacking energy: -234.171
Base-Backbone interact. energy: -1.410
local terms energy: -253.645418
where:
bonds (distance) C4'-P energy: -46.467
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -55.113
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -64.115
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: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -780.235067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.235067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.235067 (E_RNA)
where:
Base-Base interactions energy: -520.037
where: short stacking energy: -220.362
Base-Backbone interact. energy: -0.301
local terms energy: -259.897000
where:
bonds (distance) C4'-P energy: -44.460
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -54.381
flat angles P-C4'-P energy: -38.747
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -749.848363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.848363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.848363 (E_RNA)
where:
Base-Base interactions energy: -501.192
where: short stacking energy: -223.662
Base-Backbone interact. energy: 2.949
local terms energy: -251.604939
where:
bonds (distance) C4'-P energy: -45.908
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -65.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -741.235327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.235327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.235327 (E_RNA)
where:
Base-Base interactions energy: -513.771
where: short stacking energy: -226.239
Base-Backbone interact. energy: -0.100
local terms energy: -227.364906
where:
bonds (distance) C4'-P energy: -42.255
bonds (distance) P-C4' energy: -51.000
flat angles C4'-P-C4' energy: -48.757
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -57.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -624.368317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.368317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.368317 (E_RNA)
where:
Base-Base interactions energy: -409.152
where: short stacking energy: -183.871
Base-Backbone interact. energy: -0.744
local terms energy: -214.471668
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -46.151
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -51.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -367.584568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.584568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.584568 (E_RNA)
where:
Base-Base interactions energy: -192.320
where: short stacking energy: -104.396
Base-Backbone interact. energy: -0.667
local terms energy: -174.597814
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -47.093
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -3.739
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: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -224.469248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.469248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.469248 (E_RNA)
where:
Base-Base interactions energy: -76.126
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.572
local terms energy: -147.771476
where:
bonds (distance) C4'-P energy: -40.141
bonds (distance) P-C4' energy: -39.129
flat angles C4'-P-C4' energy: -45.638
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: 3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -957.388401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.388401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.388401 (E_RNA)
where:
Base-Base interactions energy: -655.672
where: short stacking energy: -286.918
Base-Backbone interact. energy: 0.035
local terms energy: -301.751079
where:
bonds (distance) C4'-P energy: -53.162
bonds (distance) P-C4' energy: -59.376
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -89.888
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: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -927.543255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.543255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.543255 (E_RNA)
where:
Base-Base interactions energy: -633.226
where: short stacking energy: -267.917
Base-Backbone interact. energy: -0.388
local terms energy: -293.929551
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -59.718
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -85.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -925.892099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.892099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.892099 (E_RNA)
where:
Base-Base interactions energy: -641.508
where: short stacking energy: -278.964
Base-Backbone interact. energy: -1.477
local terms energy: -282.906569
where:
bonds (distance) C4'-P energy: -44.099
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -58.615
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -83.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -798.103303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.103303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.103303 (E_RNA)
where:
Base-Base interactions energy: -539.291
where: short stacking energy: -237.224
Base-Backbone interact. energy: -1.043
local terms energy: -257.769853
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -47.143
flat angles C4'-P-C4' energy: -62.029
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -62.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -795.225474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.225474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.225474 (E_RNA)
where:
Base-Base interactions energy: -530.296
where: short stacking energy: -229.767
Base-Backbone interact. energy: -0.882
local terms energy: -264.047643
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -53.435
flat angles C4'-P-C4' energy: -53.174
flat angles P-C4'-P energy: -32.787
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: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -773.334167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.334167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.334167 (E_RNA)
where:
Base-Base interactions energy: -544.284
where: short stacking energy: -230.473
Base-Backbone interact. energy: -0.642
local terms energy: -228.408147
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -47.988
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: -60.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -714.332369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.332369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.332369 (E_RNA)
where:
Base-Base interactions energy: -484.796
where: short stacking energy: -187.827
Base-Backbone interact. energy: -1.802
local terms energy: -227.734130
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -47.772
flat angles C4'-P-C4' energy: -56.522
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -42.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -663.335962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.335962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.335962 (E_RNA)
where:
Base-Base interactions energy: -449.339
where: short stacking energy: -199.001
Base-Backbone interact. energy: -0.500
local terms energy: -213.496954
where:
bonds (distance) C4'-P energy: -37.705
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -42.440
flat angles P-C4'-P energy: -28.574
tors. eta vs tors. theta energy: -54.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -336.907322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.907322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.907322 (E_RNA)
where:
Base-Base interactions energy: -163.393
where: short stacking energy: -94.408
Base-Backbone interact. energy: -2.786
local terms energy: -170.728446
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -49.039
flat angles C4'-P-C4' energy: -46.470
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -232.952313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.952313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.952313 (E_RNA)
where:
Base-Base interactions energy: -72.332
where: short stacking energy: -64.003
Base-Backbone interact. energy: -1.307
local terms energy: -159.312580
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -943.965029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.965029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.965029 (E_RNA)
where:
Base-Base interactions energy: -642.507
where: short stacking energy: -288.814
Base-Backbone interact. energy: -1.472
local terms energy: -299.986031
where:
bonds (distance) C4'-P energy: -58.298
bonds (distance) P-C4' energy: -52.149
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -42.747
tors. eta vs tors. theta energy: -83.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -938.401715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.401715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.401715 (E_RNA)
where:
Base-Base interactions energy: -644.046
where: short stacking energy: -276.050
Base-Backbone interact. energy: 0.145
local terms energy: -294.500119
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -56.229
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -86.716
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: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -925.144314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.144314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.144314 (E_RNA)
where:
Base-Base interactions energy: -645.734
where: short stacking energy: -279.475
Base-Backbone interact. energy: -1.323
local terms energy: -278.087732
where:
bonds (distance) C4'-P energy: -52.544
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -51.114
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -81.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -816.390347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.390347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.390347 (E_RNA)
where:
Base-Base interactions energy: -543.844
where: short stacking energy: -224.047
Base-Backbone interact. energy: -0.918
local terms energy: -271.628383
where:
bonds (distance) C4'-P energy: -51.781
bonds (distance) P-C4' energy: -53.019
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -41.308
tors. eta vs tors. theta energy: -67.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -802.722425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.722425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.722425 (E_RNA)
where:
Base-Base interactions energy: -540.980
where: short stacking energy: -230.716
Base-Backbone interact. energy: -1.364
local terms energy: -260.378487
where:
bonds (distance) C4'-P energy: -42.866
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -60.920
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -62.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -732.143977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.143977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.143977 (E_RNA)
where:
Base-Base interactions energy: -502.134
where: short stacking energy: -223.224
Base-Backbone interact. energy: -0.389
local terms energy: -229.620496
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -44.549
flat angles C4'-P-C4' energy: -54.662
flat angles P-C4'-P energy: -27.718
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: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -732.018033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.018033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.018033 (E_RNA)
where:
Base-Base interactions energy: -496.840
where: short stacking energy: -202.037
Base-Backbone interact. energy: -0.738
local terms energy: -234.440583
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -48.679
flat angles P-C4'-P energy: -31.930
tors. eta vs tors. theta energy: -56.077
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: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -623.759055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.759055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.759055 (E_RNA)
where:
Base-Base interactions energy: -410.884
where: short stacking energy: -186.329
Base-Backbone interact. energy: -0.756
local terms energy: -212.119228
where:
bonds (distance) C4'-P energy: -34.647
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -56.758
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -48.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -343.416222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.416222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.416222 (E_RNA)
where:
Base-Base interactions energy: -181.919
where: short stacking energy: -105.435
Base-Backbone interact. energy: 0.178
local terms energy: -161.676014
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -57.185
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -28.501
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -254.144330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.144330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.144330 (E_RNA)
where:
Base-Base interactions energy: -91.892
where: short stacking energy: -80.511
Base-Backbone interact. energy: 0.709
local terms energy: -162.961338
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -940.269439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.269439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.269439 (E_RNA)
where:
Base-Base interactions energy: -648.510
where: short stacking energy: -287.113
Base-Backbone interact. energy: -2.903
local terms energy: -288.856365
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -53.210
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -79.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -928.673564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.673564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.673564 (E_RNA)
where:
Base-Base interactions energy: -633.044
where: short stacking energy: -265.541
Base-Backbone interact. energy: 1.540
local terms energy: -297.169520
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -44.669
tors. eta vs tors. theta energy: -82.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -940.105689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.105689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.105689 (E_RNA)
where:
Base-Base interactions energy: -661.768
where: short stacking energy: -273.608
Base-Backbone interact. energy: -1.325
local terms energy: -277.013403
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: -78.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -850.183311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.183311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.183311 (E_RNA)
where:
Base-Base interactions energy: -574.789
where: short stacking energy: -256.380
Base-Backbone interact. energy: -0.102
local terms energy: -275.292503
where:
bonds (distance) C4'-P energy: -54.846
bonds (distance) P-C4' energy: -49.486
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -70.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -833.483351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.483351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.483351 (E_RNA)
where:
Base-Base interactions energy: -567.686
where: short stacking energy: -243.686
Base-Backbone interact. energy: -1.244
local terms energy: -264.553467
where:
bonds (distance) C4'-P energy: -49.988
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -72.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -747.104914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.104914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.104914 (E_RNA)
where:
Base-Base interactions energy: -522.754
where: short stacking energy: -193.664
Base-Backbone interact. energy: -0.328
local terms energy: -224.022104
where:
bonds (distance) C4'-P energy: -39.868
bonds (distance) P-C4' energy: -53.774
flat angles C4'-P-C4' energy: -42.736
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -53.229
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: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -757.101838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.101838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.101838 (E_RNA)
where:
Base-Base interactions energy: -523.251
where: short stacking energy: -220.078
Base-Backbone interact. energy: 1.243
local terms energy: -235.093396
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -52.723
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -29.301
tors. eta vs tors. theta energy: -52.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -597.017905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.017905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.017905 (E_RNA)
where:
Base-Base interactions energy: -386.389
where: short stacking energy: -168.616
Base-Backbone interact. energy: -0.842
local terms energy: -209.786983
where:
bonds (distance) C4'-P energy: -44.518
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -53.372
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -35.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -350.199362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.199362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.199362 (E_RNA)
where:
Base-Base interactions energy: -192.464
where: short stacking energy: -108.252
Base-Backbone interact. energy: -0.838
local terms energy: -156.897644
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -45.055
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -245.879403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.879403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.879403 (E_RNA)
where:
Base-Base interactions energy: -94.151
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.868
local terms energy: -150.861024
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -52.313
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -26.280
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -933.470732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.470732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.470732 (E_RNA)
where:
Base-Base interactions energy: -636.721
where: short stacking energy: -256.440
Base-Backbone interact. energy: -1.863
local terms energy: -294.886689
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -60.103
flat angles C4'-P-C4' energy: -60.841
flat angles P-C4'-P energy: -38.633
tors. eta vs tors. theta energy: -80.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -933.547638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.547638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.547638 (E_RNA)
where:
Base-Base interactions energy: -650.431
where: short stacking energy: -285.687
Base-Backbone interact. energy: -0.808
local terms energy: -282.308815
where:
bonds (distance) C4'-P energy: -52.818
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -62.391
flat angles P-C4'-P energy: -27.992
tors. eta vs tors. theta energy: -87.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -907.578021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.578021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.578021 (E_RNA)
where:
Base-Base interactions energy: -631.802
where: short stacking energy: -281.512
Base-Backbone interact. energy: -0.831
local terms energy: -274.944705
where:
bonds (distance) C4'-P energy: -47.078
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -81.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -846.063996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.063996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.063996 (E_RNA)
where:
Base-Base interactions energy: -578.069
where: short stacking energy: -258.363
Base-Backbone interact. energy: -1.168
local terms energy: -266.826829
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -76.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -752.519761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.519761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.519761 (E_RNA)
where:
Base-Base interactions energy: -530.519
where: short stacking energy: -216.627
Base-Backbone interact. energy: 1.009
local terms energy: -223.009767
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -47.187
flat angles C4'-P-C4' energy: -50.539
flat angles P-C4'-P energy: -26.567
tors. eta vs tors. theta energy: -51.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -789.527588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.527588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.527588 (E_RNA)
where:
Base-Base interactions energy: -556.764
where: short stacking energy: -233.522
Base-Backbone interact. energy: -0.532
local terms energy: -232.231223
where:
bonds (distance) C4'-P energy: -46.579
bonds (distance) P-C4' energy: -34.684
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -68.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -734.948255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.948255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.948255 (E_RNA)
where:
Base-Base interactions energy: -497.726
where: short stacking energy: -208.289
Base-Backbone interact. energy: -0.558
local terms energy: -236.664351
where:
bonds (distance) C4'-P energy: -50.572
bonds (distance) P-C4' energy: -39.665
flat angles C4'-P-C4' energy: -52.995
flat angles P-C4'-P energy: -35.487
tors. eta vs tors. theta energy: -57.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -612.869048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.869048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.869048 (E_RNA)
where:
Base-Base interactions energy: -402.321
where: short stacking energy: -187.125
Base-Backbone interact. energy: -0.839
local terms energy: -209.708840
where:
bonds (distance) C4'-P energy: -49.925
bonds (distance) P-C4' energy: -56.510
flat angles C4'-P-C4' energy: -45.925
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -44.111
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: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -346.871336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.871336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.871336 (E_RNA)
where:
Base-Base interactions energy: -185.303
where: short stacking energy: -103.496
Base-Backbone interact. energy: 0.591
local terms energy: -162.159192
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -225.729134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729134 (E_RNA)
where:
Base-Base interactions energy: -71.508
where: short stacking energy: -62.112
Base-Backbone interact. energy: 2.420
local terms energy: -156.641074
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -46.107
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: 6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -946.269033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.269033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.269033 (E_RNA)
where:
Base-Base interactions energy: -666.032
where: short stacking energy: -271.868
Base-Backbone interact. energy: 0.780
local terms energy: -281.016870
where:
bonds (distance) C4'-P energy: -54.277
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -56.167
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -82.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -930.203391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.203391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.203391 (E_RNA)
where:
Base-Base interactions energy: -638.656
where: short stacking energy: -281.876
Base-Backbone interact. energy: 1.384
local terms energy: -292.931530
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -43.066
tors. eta vs tors. theta energy: -84.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -912.476614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.476614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.476614 (E_RNA)
where:
Base-Base interactions energy: -634.365
where: short stacking energy: -270.182
Base-Backbone interact. energy: 1.901
local terms energy: -280.012690
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -57.927
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: -75.814
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: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -832.692968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.692968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.692968 (E_RNA)
where:
Base-Base interactions energy: -568.804
where: short stacking energy: -258.916
Base-Backbone interact. energy: 0.131
local terms energy: -264.019206
where:
bonds (distance) C4'-P energy: -47.786
bonds (distance) P-C4' energy: -42.813
flat angles C4'-P-C4' energy: -56.413
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -71.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -793.772293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.772293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.772293 (E_RNA)
where:
Base-Base interactions energy: -543.775
where: short stacking energy: -227.549
Base-Backbone interact. energy: -0.553
local terms energy: -249.444317
where:
bonds (distance) C4'-P energy: -53.923
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -50.656
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -62.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -773.422833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.422833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.422833 (E_RNA)
where:
Base-Base interactions energy: -524.984
where: short stacking energy: -223.040
Base-Backbone interact. energy: -0.240
local terms energy: -248.198932
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -43.965
flat angles C4'-P-C4' energy: -47.868
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -65.506
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -782.618961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.618961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.618961 (E_RNA)
where:
Base-Base interactions energy: -542.947
where: short stacking energy: -222.918
Base-Backbone interact. energy: 0.497
local terms energy: -240.168801
where:
bonds (distance) C4'-P energy: -42.361
bonds (distance) P-C4' energy: -55.920
flat angles C4'-P-C4' energy: -47.774
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -65.303
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: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -575.546262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.546262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.546262 (E_RNA)
where:
Base-Base interactions energy: -370.708
where: short stacking energy: -171.494
Base-Backbone interact. energy: 0.930
local terms energy: -205.768150
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -29.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -344.546825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.546825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.546825 (E_RNA)
where:
Base-Base interactions energy: -180.595
where: short stacking energy: -107.492
Base-Backbone interact. energy: 2.835
local terms energy: -166.787479
where:
bonds (distance) C4'-P energy: -52.568
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -43.211
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -232.819817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.819817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.819817 (E_RNA)
where:
Base-Base interactions energy: -76.812
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.397
local terms energy: -155.610677
where:
bonds (distance) C4'-P energy: -48.169
bonds (distance) P-C4' energy: -41.337
flat angles C4'-P-C4' energy: -42.706
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -949.948682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.948682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.948682 (E_RNA)
where:
Base-Base interactions energy: -652.212
where: short stacking energy: -270.992
Base-Backbone interact. energy: -0.310
local terms energy: -297.427085
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -50.087
flat angles C4'-P-C4' energy: -61.003
flat angles P-C4'-P energy: -48.091
tors. eta vs tors. theta energy: -85.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -924.042496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.042496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.042496 (E_RNA)
where:
Base-Base interactions energy: -640.676
where: short stacking energy: -280.318
Base-Backbone interact. energy: -0.948
local terms energy: -282.418476
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -44.763
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: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -895.208289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.208289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.208289 (E_RNA)
where:
Base-Base interactions energy: -607.414
where: short stacking energy: -247.817
Base-Backbone interact. energy: -1.121
local terms energy: -286.672898
where:
bonds (distance) C4'-P energy: -50.078
bonds (distance) P-C4' energy: -54.978
flat angles C4'-P-C4' energy: -61.732
flat angles P-C4'-P energy: -43.868
tors. eta vs tors. theta energy: -76.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -823.317661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.317661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.317661 (E_RNA)
where:
Base-Base interactions energy: -552.920
where: short stacking energy: -235.386
Base-Backbone interact. energy: 1.290
local terms energy: -271.688043
where:
bonds (distance) C4'-P energy: -58.665
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -62.964
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -73.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -809.132134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.132134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.132134 (E_RNA)
where:
Base-Base interactions energy: -558.110
where: short stacking energy: -243.056
Base-Backbone interact. energy: -1.091
local terms energy: -249.931534
where:
bonds (distance) C4'-P energy: -47.931
bonds (distance) P-C4' energy: -48.105
flat angles C4'-P-C4' energy: -55.418
flat angles P-C4'-P energy: -32.518
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: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -775.688059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.688059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.688059 (E_RNA)
where:
Base-Base interactions energy: -539.937
where: short stacking energy: -223.978
Base-Backbone interact. energy: -1.165
local terms energy: -234.586486
where:
bonds (distance) C4'-P energy: -40.998
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -30.781
tors. eta vs tors. theta energy: -66.383
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: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -766.759074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.759074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.759074 (E_RNA)
where:
Base-Base interactions energy: -542.769
where: short stacking energy: -226.069
Base-Backbone interact. energy: -1.088
local terms energy: -222.901783
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -43.682
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -55.161
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: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -591.108870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.108870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.108870 (E_RNA)
where:
Base-Base interactions energy: -383.815
where: short stacking energy: -171.080
Base-Backbone interact. energy: -0.001
local terms energy: -207.292889
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -44.512
flat angles C4'-P-C4' energy: -53.610
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -41.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -372.023969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.023969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.023969 (E_RNA)
where:
Base-Base interactions energy: -201.690
where: short stacking energy: -121.625
Base-Backbone interact. energy: -1.261
local terms energy: -169.072497
where:
bonds (distance) C4'-P energy: -37.914
bonds (distance) P-C4' energy: -49.226
flat angles C4'-P-C4' energy: -41.533
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -251.007553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.007553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.007553 (E_RNA)
where:
Base-Base interactions energy: -91.874
where: short stacking energy: -79.750
Base-Backbone interact. energy: -0.725
local terms energy: -158.408370
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -50.291
flat angles C4'-P-C4' energy: -37.044
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -962.626338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.626338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.626338 (E_RNA)
where:
Base-Base interactions energy: -663.111
where: short stacking energy: -278.784
Base-Backbone interact. energy: -1.665
local terms energy: -297.850555
where:
bonds (distance) C4'-P energy: -55.411
bonds (distance) P-C4' energy: -57.573
flat angles C4'-P-C4' energy: -55.678
flat angles P-C4'-P energy: -39.904
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: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -932.705940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.705940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.705940 (E_RNA)
where:
Base-Base interactions energy: -640.312
where: short stacking energy: -287.571
Base-Backbone interact. energy: -1.055
local terms energy: -291.339580
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -66.000
flat angles P-C4'-P energy: -43.658
tors. eta vs tors. theta energy: -82.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -884.854917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.854917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.854917 (E_RNA)
where:
Base-Base interactions energy: -615.082
where: short stacking energy: -266.651
Base-Backbone interact. energy: -2.221
local terms energy: -267.552219
where:
bonds (distance) C4'-P energy: -52.253
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -34.152
tors. eta vs tors. theta energy: -80.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -802.889660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.889660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.889660 (E_RNA)
where:
Base-Base interactions energy: -545.036
where: short stacking energy: -234.030
Base-Backbone interact. energy: -0.798
local terms energy: -257.056420
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -44.797
flat angles C4'-P-C4' energy: -60.140
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -69.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -780.678353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.678353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.678353 (E_RNA)
where:
Base-Base interactions energy: -539.692
where: short stacking energy: -217.962
Base-Backbone interact. energy: -0.054
local terms energy: -240.931844
where:
bonds (distance) C4'-P energy: -45.333
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -36.517
tors. eta vs tors. theta energy: -62.078
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: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -780.548394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.548394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.548394 (E_RNA)
where:
Base-Base interactions energy: -546.448
where: short stacking energy: -230.024
Base-Backbone interact. energy: -1.054
local terms energy: -233.045948
where:
bonds (distance) C4'-P energy: -47.946
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -51.675
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: -59.821
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -762.464115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.464115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.464115 (E_RNA)
where:
Base-Base interactions energy: -529.440
where: short stacking energy: -211.430
Base-Backbone interact. energy: -0.569
local terms energy: -232.455335
where:
bonds (distance) C4'-P energy: -46.612
bonds (distance) P-C4' energy: -46.834
flat angles C4'-P-C4' energy: -47.202
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: -65.057
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: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -567.079275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.079275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.079275 (E_RNA)
where:
Base-Base interactions energy: -371.408
where: short stacking energy: -151.747
Base-Backbone interact. energy: 4.382
local terms energy: -200.054067
where:
bonds (distance) C4'-P energy: -42.374
bonds (distance) P-C4' energy: -46.692
flat angles C4'-P-C4' energy: -45.463
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -32.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -366.942953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.942953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.942953 (E_RNA)
where:
Base-Base interactions energy: -199.825
where: short stacking energy: -121.361
Base-Backbone interact. energy: -0.221
local terms energy: -166.896971
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -40.300
flat angles C4'-P-C4' energy: -41.436
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -287.863355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.863355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.863355 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -83.122
Base-Backbone interact. energy: 1.230
local terms energy: -158.694640
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: -7.716
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: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -952.128835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.128835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.128835 (E_RNA)
where:
Base-Base interactions energy: -645.974
where: short stacking energy: -284.860
Base-Backbone interact. energy: -0.907
local terms energy: -305.247720
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -61.158
flat angles C4'-P-C4' energy: -58.853
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -82.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -943.174459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.174459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.174459 (E_RNA)
where:
Base-Base interactions energy: -653.521
where: short stacking energy: -277.252
Base-Backbone interact. energy: -1.721
local terms energy: -287.931663
where:
bonds (distance) C4'-P energy: -57.155
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -64.651
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -83.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -883.782137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.782137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.782137 (E_RNA)
where:
Base-Base interactions energy: -618.524
where: short stacking energy: -265.020
Base-Backbone interact. energy: 1.039
local terms energy: -266.298116
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -59.883
flat angles P-C4'-P energy: -36.513
tors. eta vs tors. theta energy: -68.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -817.750530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.750530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.750530 (E_RNA)
where:
Base-Base interactions energy: -542.394
where: short stacking energy: -245.248
Base-Backbone interact. energy: 0.076
local terms energy: -275.431966
where:
bonds (distance) C4'-P energy: -51.441
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -70.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -805.544700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.544700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.544700 (E_RNA)
where:
Base-Base interactions energy: -547.595
where: short stacking energy: -234.068
Base-Backbone interact. energy: -0.512
local terms energy: -257.437326
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -55.783
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -63.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -817.347775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.347775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.347775 (E_RNA)
where:
Base-Base interactions energy: -562.815
where: short stacking energy: -245.455
Base-Backbone interact. energy: 0.301
local terms energy: -254.834038
where:
bonds (distance) C4'-P energy: -56.826
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -67.586
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: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -732.449046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.449046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.449046 (E_RNA)
where:
Base-Base interactions energy: -485.969
where: short stacking energy: -214.162
Base-Backbone interact. energy: -0.649
local terms energy: -245.831425
where:
bonds (distance) C4'-P energy: -47.555
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -57.096
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -59.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -595.496153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.496153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.496153 (E_RNA)
where:
Base-Base interactions energy: -381.607
where: short stacking energy: -175.791
Base-Backbone interact. energy: 0.264
local terms energy: -214.153299
where:
bonds (distance) C4'-P energy: -44.414
bonds (distance) P-C4' energy: -46.159
flat angles C4'-P-C4' energy: -51.171
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -35.989
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: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -353.710979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.710979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.710979 (E_RNA)
where:
Base-Base interactions energy: -178.211
where: short stacking energy: -104.398
Base-Backbone interact. energy: -2.200
local terms energy: -173.300064
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -52.203
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -221.984911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.984911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.984911 (E_RNA)
where:
Base-Base interactions energy: -84.080
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.211
local terms energy: -137.694145
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -45.093
flat angles C4'-P-C4' energy: -42.166
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: 8.382
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: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -972.627095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.627095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.627095 (E_RNA)
where:
Base-Base interactions energy: -678.819
where: short stacking energy: -286.412
Base-Backbone interact. energy: 0.515
local terms energy: -294.322877
where:
bonds (distance) C4'-P energy: -58.094
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -60.758
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -80.020
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: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -941.902615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.902615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.902615 (E_RNA)
where:
Base-Base interactions energy: -640.106
where: short stacking energy: -285.310
Base-Backbone interact. energy: -0.339
local terms energy: -301.458220
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: -83.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -886.787478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.787478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.787478 (E_RNA)
where:
Base-Base interactions energy: -599.151
where: short stacking energy: -272.466
Base-Backbone interact. energy: -1.173
local terms energy: -286.464102
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -82.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -822.096039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.096039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.096039 (E_RNA)
where:
Base-Base interactions energy: -555.981
where: short stacking energy: -239.613
Base-Backbone interact. energy: -0.316
local terms energy: -265.798983
where:
bonds (distance) C4'-P energy: -45.286
bonds (distance) P-C4' energy: -54.077
flat angles C4'-P-C4' energy: -62.609
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -66.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -792.443229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.443229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.443229 (E_RNA)
where:
Base-Base interactions energy: -549.938
where: short stacking energy: -240.355
Base-Backbone interact. energy: -0.960
local terms energy: -241.544519
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -55.832
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -61.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -774.286556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.286556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.286556 (E_RNA)
where:
Base-Base interactions energy: -524.471
where: short stacking energy: -212.820
Base-Backbone interact. energy: -1.755
local terms energy: -248.060405
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -51.587
flat angles P-C4'-P energy: -30.665
tors. eta vs tors. theta energy: -62.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -713.683528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.683528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.683528 (E_RNA)
where:
Base-Base interactions energy: -479.808
where: short stacking energy: -210.539
Base-Backbone interact. energy: 1.650
local terms energy: -235.525326
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -57.499
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -53.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -592.239792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.239792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.239792 (E_RNA)
where:
Base-Base interactions energy: -382.245
where: short stacking energy: -188.755
Base-Backbone interact. energy: -0.404
local terms energy: -209.591021
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -46.538
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -50.117
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -364.364407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.364407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.364407 (E_RNA)
where:
Base-Base interactions energy: -199.706
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.917
local terms energy: -163.740895
where:
bonds (distance) C4'-P energy: -41.918
bonds (distance) P-C4' energy: -48.142
flat angles C4'-P-C4' energy: -42.585
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -222.739774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.739774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.739774 (E_RNA)
where:
Base-Base interactions energy: -84.238
where: short stacking energy: -76.590
Base-Backbone interact. energy: 1.887
local terms energy: -140.388644
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -51.782
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: 3.215
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: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -953.972461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.972461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.972461 (E_RNA)
where:
Base-Base interactions energy: -665.571
where: short stacking energy: -293.116
Base-Backbone interact. energy: -2.055
local terms energy: -286.346965
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -56.945
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -87.020
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -954.189162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.189162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.189162 (E_RNA)
where:
Base-Base interactions energy: -657.772
where: short stacking energy: -280.160
Base-Backbone interact. energy: -1.028
local terms energy: -295.389283
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -56.736
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -86.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -917.019519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.019519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.019519 (E_RNA)
where:
Base-Base interactions energy: -653.952
where: short stacking energy: -270.860
Base-Backbone interact. energy: -2.491
local terms energy: -260.576813
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -54.080
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -81.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -812.334553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.334553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.334553 (E_RNA)
where:
Base-Base interactions energy: -537.293
where: short stacking energy: -252.166
Base-Backbone interact. energy: -0.355
local terms energy: -274.686894
where:
bonds (distance) C4'-P energy: -54.719
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -58.405
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -68.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -814.027595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.027595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.027595 (E_RNA)
where:
Base-Base interactions energy: -567.401
where: short stacking energy: -240.624
Base-Backbone interact. energy: -1.711
local terms energy: -244.915909
where:
bonds (distance) C4'-P energy: -41.570
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -63.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -763.458857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.458857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.458857 (E_RNA)
where:
Base-Base interactions energy: -521.637
where: short stacking energy: -222.643
Base-Backbone interact. energy: -1.582
local terms energy: -240.239055
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -38.896
tors. eta vs tors. theta energy: -60.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -714.350837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.350837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.350837 (E_RNA)
where:
Base-Base interactions energy: -479.088
where: short stacking energy: -211.461
Base-Backbone interact. energy: 0.376
local terms energy: -235.638853
where:
bonds (distance) C4'-P energy: -41.344
bonds (distance) P-C4' energy: -50.223
flat angles C4'-P-C4' energy: -59.184
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -55.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -598.634217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.634217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.634217 (E_RNA)
where:
Base-Base interactions energy: -377.923
where: short stacking energy: -173.984
Base-Backbone interact. energy: -1.293
local terms energy: -219.418408
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -51.537
flat angles C4'-P-C4' energy: -54.248
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -46.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -336.820249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.820249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.820249 (E_RNA)
where:
Base-Base interactions energy: -188.478
where: short stacking energy: -111.020
Base-Backbone interact. energy: -1.541
local terms energy: -146.800742
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -41.688
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -238.059483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.059483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.059483 (E_RNA)
where:
Base-Base interactions energy: -87.919
where: short stacking energy: -52.305
Base-Backbone interact. energy: 0.951
local terms energy: -151.091401
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -43.062
flat angles C4'-P-C4' energy: -49.360
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: 1.738
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: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -953.095119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.095119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.095119 (E_RNA)
where:
Base-Base interactions energy: -648.378
where: short stacking energy: -295.417
Base-Backbone interact. energy: -0.441
local terms energy: -304.276323
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -55.113
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -49.312
tors. eta vs tors. theta energy: -86.626
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -946.547819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.547819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.547819 (E_RNA)
where:
Base-Base interactions energy: -654.230
where: short stacking energy: -284.883
Base-Backbone interact. energy: -0.995
local terms energy: -291.322532
where:
bonds (distance) C4'-P energy: -53.891
bonds (distance) P-C4' energy: -50.001
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -39.714
tors. eta vs tors. theta energy: -87.517
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: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -918.323612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.323612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.323612 (E_RNA)
where:
Base-Base interactions energy: -635.491
where: short stacking energy: -274.310
Base-Backbone interact. energy: -1.044
local terms energy: -281.788243
where:
bonds (distance) C4'-P energy: -57.613
bonds (distance) P-C4' energy: -45.519
flat angles C4'-P-C4' energy: -64.130
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -78.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -815.860232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.860232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.860232 (E_RNA)
where:
Base-Base interactions energy: -560.958
where: short stacking energy: -256.763
Base-Backbone interact. energy: -1.080
local terms energy: -253.822162
where:
bonds (distance) C4'-P energy: -48.182
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -53.451
flat angles P-C4'-P energy: -30.729
tors. eta vs tors. theta energy: -69.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -823.633084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.633084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.633084 (E_RNA)
where:
Base-Base interactions energy: -584.935
where: short stacking energy: -256.028
Base-Backbone interact. energy: -0.863
local terms energy: -237.835637
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -50.896
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -64.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -776.434556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.434556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.434556 (E_RNA)
where:
Base-Base interactions energy: -525.461
where: short stacking energy: -219.301
Base-Backbone interact. energy: -0.438
local terms energy: -250.536026
where:
bonds (distance) C4'-P energy: -46.323
bonds (distance) P-C4' energy: -51.943
flat angles C4'-P-C4' energy: -53.506
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: -59.491
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: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -739.871420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.871420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.871420 (E_RNA)
where:
Base-Base interactions energy: -503.996
where: short stacking energy: -202.067
Base-Backbone interact. energy: -0.699
local terms energy: -235.175981
where:
bonds (distance) C4'-P energy: -42.937
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -38.345
tors. eta vs tors. theta energy: -59.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -607.634196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.634196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.634196 (E_RNA)
where:
Base-Base interactions energy: -390.295
where: short stacking energy: -178.849
Base-Backbone interact. energy: -0.954
local terms energy: -216.385231
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -47.443
flat angles C4'-P-C4' energy: -40.045
flat angles P-C4'-P energy: -32.118
tors. eta vs tors. theta energy: -44.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -377.908263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.908263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.908263 (E_RNA)
where:
Base-Base interactions energy: -203.314
where: short stacking energy: -118.250
Base-Backbone interact. energy: -0.386
local terms energy: -174.207753
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -25.903
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -211.062825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.062825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.062825 (E_RNA)
where:
Base-Base interactions energy: -65.986
where: short stacking energy: -55.996
Base-Backbone interact. energy: 0.175
local terms energy: -145.251758
where:
bonds (distance) C4'-P energy: -47.022
bonds (distance) P-C4' energy: -48.092
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: 9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -976.340959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.340959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.340959 (E_RNA)
where:
Base-Base interactions energy: -678.666
where: short stacking energy: -300.304
Base-Backbone interact. energy: 0.086
local terms energy: -297.761410
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -65.050
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: -91.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -946.822184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.822184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.822184 (E_RNA)
where:
Base-Base interactions energy: -669.694
where: short stacking energy: -299.204
Base-Backbone interact. energy: -0.022
local terms energy: -277.105408
where:
bonds (distance) C4'-P energy: -47.460
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -56.705
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -86.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -884.469699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.469699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.469699 (E_RNA)
where:
Base-Base interactions energy: -606.499
where: short stacking energy: -272.963
Base-Backbone interact. energy: -0.693
local terms energy: -277.277958
where:
bonds (distance) C4'-P energy: -48.086
bonds (distance) P-C4' energy: -58.925
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -39.663
tors. eta vs tors. theta energy: -73.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -830.125194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.125194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.125194 (E_RNA)
where:
Base-Base interactions energy: -566.190
where: short stacking energy: -243.461
Base-Backbone interact. energy: 1.549
local terms energy: -265.484258
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -50.574
flat angles C4'-P-C4' energy: -61.333
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -68.318
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: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -817.845199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.845199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.845199 (E_RNA)
where:
Base-Base interactions energy: -571.788
where: short stacking energy: -252.783
Base-Backbone interact. energy: -0.427
local terms energy: -245.630335
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -67.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -787.627637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.627637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.627637 (E_RNA)
where:
Base-Base interactions energy: -548.228
where: short stacking energy: -230.698
Base-Backbone interact. energy: -0.834
local terms energy: -238.565483
where:
bonds (distance) C4'-P energy: -45.379
bonds (distance) P-C4' energy: -49.473
flat angles C4'-P-C4' energy: -49.390
flat angles P-C4'-P energy: -37.998
tors. eta vs tors. theta energy: -56.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -725.571359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.571359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.571359 (E_RNA)
where:
Base-Base interactions energy: -484.764
where: short stacking energy: -199.217
Base-Backbone interact. energy: -1.149
local terms energy: -239.658160
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -47.833
flat angles C4'-P-C4' energy: -54.429
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -50.838
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: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -580.101150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.101150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.101150 (E_RNA)
where:
Base-Base interactions energy: -385.312
where: short stacking energy: -186.565
Base-Backbone interact. energy: -0.747
local terms energy: -194.041413
where:
bonds (distance) C4'-P energy: -36.864
bonds (distance) P-C4' energy: -45.124
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -36.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -369.040422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.040422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.040422 (E_RNA)
where:
Base-Base interactions energy: -196.714
where: short stacking energy: -116.275
Base-Backbone interact. energy: 2.231
local terms energy: -174.558189
where:
bonds (distance) C4'-P energy: -46.442
bonds (distance) P-C4' energy: -47.521
flat angles C4'-P-C4' energy: -43.557
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -218.894006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.894006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.894006 (E_RNA)
where:
Base-Base interactions energy: -74.564
where: short stacking energy: -69.098
Base-Backbone interact. energy: -1.544
local terms energy: -142.785557
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -41.183
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -3.054
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: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -972.821395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.821395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.821395 (E_RNA)
where:
Base-Base interactions energy: -672.296
where: short stacking energy: -297.511
Base-Backbone interact. energy: 0.292
local terms energy: -300.817461
where:
bonds (distance) C4'-P energy: -60.314
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -59.570
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -946.456869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.456869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.456869 (E_RNA)
where:
Base-Base interactions energy: -642.333
where: short stacking energy: -283.621
Base-Backbone interact. energy: -0.676
local terms energy: -303.448370
where:
bonds (distance) C4'-P energy: -51.888
bonds (distance) P-C4' energy: -54.301
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -47.579
tors. eta vs tors. theta energy: -86.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -901.265769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.265769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.265769 (E_RNA)
where:
Base-Base interactions energy: -626.518
where: short stacking energy: -277.373
Base-Backbone interact. energy: -0.375
local terms energy: -274.372865
where:
bonds (distance) C4'-P energy: -39.588
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -55.582
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -84.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -821.552525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.552525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.552525 (E_RNA)
where:
Base-Base interactions energy: -567.289
where: short stacking energy: -257.133
Base-Backbone interact. energy: -0.523
local terms energy: -253.740841
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -59.430
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -73.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -804.772158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.772158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.772158 (E_RNA)
where:
Base-Base interactions energy: -545.711
where: short stacking energy: -232.084
Base-Backbone interact. energy: -0.864
local terms energy: -258.197546
where:
bonds (distance) C4'-P energy: -51.481
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -72.851
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: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -778.592813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.592813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.592813 (E_RNA)
where:
Base-Base interactions energy: -533.153
where: short stacking energy: -222.074
Base-Backbone interact. energy: -0.693
local terms energy: -244.746908
where:
bonds (distance) C4'-P energy: -42.169
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -42.726
tors. eta vs tors. theta energy: -59.462
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: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -717.369993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.369993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.369993 (E_RNA)
where:
Base-Base interactions energy: -487.321
where: short stacking energy: -200.830
Base-Backbone interact. energy: -0.540
local terms energy: -229.508361
where:
bonds (distance) C4'-P energy: -42.654
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -60.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -589.033051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.033051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.033051 (E_RNA)
where:
Base-Base interactions energy: -372.131
where: short stacking energy: -159.748
Base-Backbone interact. energy: -2.979
local terms energy: -213.922426
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -53.243
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -31.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -360.299008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.299008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.299008 (E_RNA)
where:
Base-Base interactions energy: -189.743
where: short stacking energy: -89.970
Base-Backbone interact. energy: -0.810
local terms energy: -169.746084
where:
bonds (distance) C4'-P energy: -45.199
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -46.911
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -12.226
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: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -243.048383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.048383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.048383 (E_RNA)
where:
Base-Base interactions energy: -101.175
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.272
local terms energy: -141.601433
where:
bonds (distance) C4'-P energy: -34.930
bonds (distance) P-C4' energy: -51.508
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -970.614370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.614370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.614370 (E_RNA)
where:
Base-Base interactions energy: -664.606
where: short stacking energy: -293.035
Base-Backbone interact. energy: -0.644
local terms energy: -305.364660
where:
bonds (distance) C4'-P energy: -53.668
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -40.424
tors. eta vs tors. theta energy: -93.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -971.173725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.173725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.173725 (E_RNA)
where:
Base-Base interactions energy: -675.246
where: short stacking energy: -279.653
Base-Backbone interact. energy: -1.740
local terms energy: -294.187625
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -54.407
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -89.089
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: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -915.391183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.391183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.391183 (E_RNA)
where:
Base-Base interactions energy: -621.948
where: short stacking energy: -276.080
Base-Backbone interact. energy: 1.310
local terms energy: -294.753814
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -52.856
flat angles C4'-P-C4' energy: -62.578
flat angles P-C4'-P energy: -43.613
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: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -836.062974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.062974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.062974 (E_RNA)
where:
Base-Base interactions energy: -577.831
where: short stacking energy: -276.037
Base-Backbone interact. energy: -0.356
local terms energy: -257.875447
where:
bonds (distance) C4'-P energy: -46.892
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -52.450
flat angles P-C4'-P energy: -35.582
tors. eta vs tors. theta energy: -76.158
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -805.455547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.455547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.455547 (E_RNA)
where:
Base-Base interactions energy: -549.396
where: short stacking energy: -238.109
Base-Backbone interact. energy: -2.187
local terms energy: -253.872389
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -44.800
flat angles P-C4'-P energy: -42.987
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: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -815.241678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.241678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.241678 (E_RNA)
where:
Base-Base interactions energy: -544.957
where: short stacking energy: -239.324
Base-Backbone interact. energy: 0.890
local terms energy: -271.175019
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -45.983
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -44.321
tors. eta vs tors. theta energy: -75.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -735.289071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.289071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.289071 (E_RNA)
where:
Base-Base interactions energy: -500.836
where: short stacking energy: -210.070
Base-Backbone interact. energy: 2.463
local terms energy: -236.915527
where:
bonds (distance) C4'-P energy: -40.798
bonds (distance) P-C4' energy: -49.198
flat angles C4'-P-C4' energy: -52.680
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -59.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -571.451995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.451995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.451995 (E_RNA)
where:
Base-Base interactions energy: -369.930
where: short stacking energy: -170.099
Base-Backbone interact. energy: -0.166
local terms energy: -201.356490
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -27.349
flat angles C4'-P-C4' energy: -53.874
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -33.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -335.394038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.394038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.394038 (E_RNA)
where:
Base-Base interactions energy: -163.867
where: short stacking energy: -103.097
Base-Backbone interact. energy: -0.582
local terms energy: -170.945251
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -37.764
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -12.909
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: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -236.540729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.540729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.540729 (E_RNA)
where:
Base-Base interactions energy: -99.467
where: short stacking energy: -81.515
Base-Backbone interact. energy: -0.277
local terms energy: -136.796356
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -41.569
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -0.835
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: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -960.548730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.548730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.548730 (E_RNA)
where:
Base-Base interactions energy: -653.377
where: short stacking energy: -285.334
Base-Backbone interact. energy: -0.876
local terms energy: -306.295319
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -88.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -927.039606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.039606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.039606 (E_RNA)
where:
Base-Base interactions energy: -631.416
where: short stacking energy: -274.917
Base-Backbone interact. energy: -0.112
local terms energy: -295.511512
where:
bonds (distance) C4'-P energy: -42.896
bonds (distance) P-C4' energy: -56.252
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -87.404
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: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -904.231819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.231819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.231819 (E_RNA)
where:
Base-Base interactions energy: -627.674
where: short stacking energy: -263.818
Base-Backbone interact. energy: 2.394
local terms energy: -278.951886
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -49.160
flat angles C4'-P-C4' energy: -64.029
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -76.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -830.092881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.092881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.092881 (E_RNA)
where:
Base-Base interactions energy: -574.947
where: short stacking energy: -254.027
Base-Backbone interact. energy: 3.312
local terms energy: -258.458074
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -58.666
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -67.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -825.895866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.895866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.895866 (E_RNA)
where:
Base-Base interactions energy: -572.920
where: short stacking energy: -238.839
Base-Backbone interact. energy: -0.898
local terms energy: -252.077565
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -44.736
flat angles C4'-P-C4' energy: -55.971
flat angles P-C4'-P energy: -34.816
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: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -783.598922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.598922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.598922 (E_RNA)
where:
Base-Base interactions energy: -522.564
where: short stacking energy: -223.552
Base-Backbone interact. energy: 0.137
local terms energy: -261.172091
where:
bonds (distance) C4'-P energy: -53.969
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -65.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -724.947115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.947115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.947115 (E_RNA)
where:
Base-Base interactions energy: -484.393
where: short stacking energy: -211.948
Base-Backbone interact. energy: -0.715
local terms energy: -239.838585
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -49.117
flat angles C4'-P-C4' energy: -47.778
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -60.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -568.659303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.659303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.659303 (E_RNA)
where:
Base-Base interactions energy: -359.328
where: short stacking energy: -148.650
Base-Backbone interact. energy: -1.828
local terms energy: -207.503389
where:
bonds (distance) C4'-P energy: -41.532
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -55.291
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -30.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -355.226670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.226670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.226670 (E_RNA)
where:
Base-Base interactions energy: -176.746
where: short stacking energy: -97.577
Base-Backbone interact. energy: 5.018
local terms energy: -183.499218
where:
bonds (distance) C4'-P energy: -57.026
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -38.830
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -279.766803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.766803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.766803 (E_RNA)
where:
Base-Base interactions energy: -99.492
where: short stacking energy: -71.978
Base-Backbone interact. energy: 0.395
local terms energy: -180.669420
where:
bonds (distance) C4'-P energy: -52.351
bonds (distance) P-C4' energy: -42.044
flat angles C4'-P-C4' energy: -45.299
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -12.568
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: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -949.133493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.133493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.133493 (E_RNA)
where:
Base-Base interactions energy: -657.283
where: short stacking energy: -267.219
Base-Backbone interact. energy: -1.170
local terms energy: -290.680576
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -49.431
flat angles C4'-P-C4' energy: -66.677
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -85.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -936.954923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.954923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.954923 (E_RNA)
where:
Base-Base interactions energy: -642.855
where: short stacking energy: -279.039
Base-Backbone interact. energy: -1.900
local terms energy: -292.199827
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -45.422
flat angles C4'-P-C4' energy: -61.215
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -87.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -840.759435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.759435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.759435 (E_RNA)
where:
Base-Base interactions energy: -574.674
where: short stacking energy: -250.810
Base-Backbone interact. energy: 0.042
local terms energy: -266.127922
where:
bonds (distance) C4'-P energy: -47.412
bonds (distance) P-C4' energy: -41.476
flat angles C4'-P-C4' energy: -61.043
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -72.929
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: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -857.359866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.359866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.359866 (E_RNA)
where:
Base-Base interactions energy: -592.636
where: short stacking energy: -257.999
Base-Backbone interact. energy: -0.644
local terms energy: -264.080374
where:
bonds (distance) C4'-P energy: -48.109
bonds (distance) P-C4' energy: -46.890
flat angles C4'-P-C4' energy: -52.108
flat angles P-C4'-P energy: -44.620
tors. eta vs tors. theta energy: -72.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -789.871126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.871126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.871126 (E_RNA)
where:
Base-Base interactions energy: -524.544
where: short stacking energy: -225.672
Base-Backbone interact. energy: 0.828
local terms energy: -266.154683
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -60.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -814.864968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.864968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.864968 (E_RNA)
where:
Base-Base interactions energy: -556.288
where: short stacking energy: -240.711
Base-Backbone interact. energy: -0.673
local terms energy: -257.903500
where:
bonds (distance) C4'-P energy: -42.526
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -47.591
flat angles P-C4'-P energy: -44.774
tors. eta vs tors. theta energy: -69.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -582.953009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.953009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.953009 (E_RNA)
where:
Base-Base interactions energy: -384.086
where: short stacking energy: -181.276
Base-Backbone interact. energy: -0.716
local terms energy: -198.151822
where:
bonds (distance) C4'-P energy: -38.051
bonds (distance) P-C4' energy: -40.682
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -35.958
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: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -719.010955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.010955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.010955 (E_RNA)
where:
Base-Base interactions energy: -499.665
where: short stacking energy: -198.200
Base-Backbone interact. energy: -1.311
local terms energy: -218.034450
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -47.236
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -54.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -377.610939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.610939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.610939 (E_RNA)
where:
Base-Base interactions energy: -203.935
where: short stacking energy: -100.567
Base-Backbone interact. energy: -3.072
local terms energy: -170.603985
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -46.743
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -228.556320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.556320 (E_RNA)
where:
Base-Base interactions energy: -94.664
where: short stacking energy: -72.797
Base-Backbone interact. energy: -1.412
local terms energy: -132.479985
where:
bonds (distance) C4'-P energy: -49.793
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -26.383
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: 8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -976.010306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.010306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.010306 (E_RNA)
where:
Base-Base interactions energy: -677.898
where: short stacking energy: -298.322
Base-Backbone interact. energy: 0.170
local terms energy: -298.282286
where:
bonds (distance) C4'-P energy: -50.815
bonds (distance) P-C4' energy: -61.159
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -39.301
tors. eta vs tors. theta energy: -87.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -926.119107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.119107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.119107 (E_RNA)
where:
Base-Base interactions energy: -629.608
where: short stacking energy: -269.534
Base-Backbone interact. energy: -0.753
local terms energy: -295.758361
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -59.579
flat angles C4'-P-C4' energy: -55.138
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -81.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -861.319067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.319067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.319067 (E_RNA)
where:
Base-Base interactions energy: -592.503
where: short stacking energy: -257.852
Base-Backbone interact. energy: -0.169
local terms energy: -268.647319
where:
bonds (distance) C4'-P energy: -45.868
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -62.902
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -72.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -859.357644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.357644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.357644 (E_RNA)
where:
Base-Base interactions energy: -605.103
where: short stacking energy: -252.770
Base-Backbone interact. energy: 1.850
local terms energy: -256.104557
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -45.029
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -34.720
tors. eta vs tors. theta energy: -69.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -806.509548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.509548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.509548 (E_RNA)
where:
Base-Base interactions energy: -559.707
where: short stacking energy: -243.541
Base-Backbone interact. energy: -0.816
local terms energy: -245.986766
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -48.084
flat angles C4'-P-C4' energy: -58.330
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -69.194
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: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -805.440148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.440148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.440148 (E_RNA)
where:
Base-Base interactions energy: -548.273
where: short stacking energy: -243.375
Base-Backbone interact. energy: -1.337
local terms energy: -255.829887
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -47.133
flat angles C4'-P-C4' energy: -53.802
flat angles P-C4'-P energy: -38.821
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: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -607.870060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.870060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.870060 (E_RNA)
where:
Base-Base interactions energy: -393.692
where: short stacking energy: -162.016
Base-Backbone interact. energy: -0.047
local terms energy: -214.131361
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -48.282
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -37.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -689.152210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.152210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.152210 (E_RNA)
where:
Base-Base interactions energy: -488.184
where: short stacking energy: -189.568
Base-Backbone interact. energy: -0.478
local terms energy: -200.490691
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -45.901
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -51.054
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: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -341.332360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.332360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.332360 (E_RNA)
where:
Base-Base interactions energy: -168.809
where: short stacking energy: -102.496
Base-Backbone interact. energy: -0.690
local terms energy: -171.833326
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -49.672
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -5.054
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: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -225.877893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.877893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877893 (E_RNA)
where:
Base-Base interactions energy: -85.249
where: short stacking energy: -76.528
Base-Backbone interact. energy: 1.162
local terms energy: -141.791257
where:
bonds (distance) C4'-P energy: -41.995
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: 6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -962.426604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.426604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.426604 (E_RNA)
where:
Base-Base interactions energy: -670.607
where: short stacking energy: -283.626
Base-Backbone interact. energy: -1.468
local terms energy: -290.351784
where:
bonds (distance) C4'-P energy: -53.747
bonds (distance) P-C4' energy: -45.522
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -88.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -945.128436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.128436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.128436 (E_RNA)
where:
Base-Base interactions energy: -652.834
where: short stacking energy: -284.556
Base-Backbone interact. energy: -1.270
local terms energy: -291.023830
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -60.217
flat angles C4'-P-C4' energy: -60.119
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -81.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -873.820351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.820351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.820351 (E_RNA)
where:
Base-Base interactions energy: -599.215
where: short stacking energy: -264.004
Base-Backbone interact. energy: -0.617
local terms energy: -273.987869
where:
bonds (distance) C4'-P energy: -56.575
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -58.557
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -72.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -868.649734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.649734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.649734 (E_RNA)
where:
Base-Base interactions energy: -591.083
where: short stacking energy: -261.260
Base-Backbone interact. energy: 0.205
local terms energy: -277.771479
where:
bonds (distance) C4'-P energy: -53.584
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -76.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -805.483053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.483053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.483053 (E_RNA)
where:
Base-Base interactions energy: -564.397
where: short stacking energy: -233.617
Base-Backbone interact. energy: -0.739
local terms energy: -240.346461
where:
bonds (distance) C4'-P energy: -45.925
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -57.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -794.915039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.915039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.915039 (E_RNA)
where:
Base-Base interactions energy: -546.845
where: short stacking energy: -237.674
Base-Backbone interact. energy: -1.034
local terms energy: -247.035792
where:
bonds (distance) C4'-P energy: -51.433
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -57.683
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -69.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -744.509943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.509943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.509943 (E_RNA)
where:
Base-Base interactions energy: -522.240
where: short stacking energy: -210.879
Base-Backbone interact. energy: -1.055
local terms energy: -221.215334
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -40.872
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -57.520
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: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -573.208637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.208637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.208637 (E_RNA)
where:
Base-Base interactions energy: -372.483
where: short stacking energy: -179.148
Base-Backbone interact. energy: -0.248
local terms energy: -200.477902
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -47.507
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -33.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -343.823061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.823061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.823061 (E_RNA)
where:
Base-Base interactions energy: -180.540
where: short stacking energy: -105.919
Base-Backbone interact. energy: -1.181
local terms energy: -162.102167
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -44.218
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -238.652982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.652982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.652982 (E_RNA)
where:
Base-Base interactions energy: -97.603
where: short stacking energy: -70.215
Base-Backbone interact. energy: -3.395
local terms energy: -137.655025
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -39.460
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -971.675565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.675565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.675565 (E_RNA)
where:
Base-Base interactions energy: -680.378
where: short stacking energy: -299.165
Base-Backbone interact. energy: -1.129
local terms energy: -290.168052
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -47.747
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -88.094
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: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -939.260576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.260576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.260576 (E_RNA)
where:
Base-Base interactions energy: -658.965
where: short stacking energy: -297.953
Base-Backbone interact. energy: -0.894
local terms energy: -279.401518
where:
bonds (distance) C4'-P energy: -54.968
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -54.129
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -87.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -855.677768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.677768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.677768 (E_RNA)
where:
Base-Base interactions energy: -577.412
where: short stacking energy: -254.339
Base-Backbone interact. energy: -0.320
local terms energy: -277.945171
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -52.711
flat angles C4'-P-C4' energy: -60.561
flat angles P-C4'-P energy: -46.437
tors. eta vs tors. theta energy: -68.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -839.201144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.201144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.201144 (E_RNA)
where:
Base-Base interactions energy: -571.639
where: short stacking energy: -244.470
Base-Backbone interact. energy: -3.629
local terms energy: -263.933096
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -55.952
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -67.611
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: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -836.471369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.471369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.471369 (E_RNA)
where:
Base-Base interactions energy: -570.131
where: short stacking energy: -244.279
Base-Backbone interact. energy: 0.782
local terms energy: -267.121854
where:
bonds (distance) C4'-P energy: -55.464
bonds (distance) P-C4' energy: -46.792
flat angles C4'-P-C4' energy: -57.356
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -71.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -770.580029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.580029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.580029 (E_RNA)
where:
Base-Base interactions energy: -526.167
where: short stacking energy: -219.845
Base-Backbone interact. energy: -0.582
local terms energy: -243.831432
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -41.919
flat angles C4'-P-C4' energy: -50.668
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -65.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -771.784836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.784836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.784836 (E_RNA)
where:
Base-Base interactions energy: -521.926
where: short stacking energy: -219.828
Base-Backbone interact. energy: -1.617
local terms energy: -248.241401
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -52.716
flat angles C4'-P-C4' energy: -51.693
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -65.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -612.223650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.223650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.223650 (E_RNA)
where:
Base-Base interactions energy: -377.836
where: short stacking energy: -170.031
Base-Backbone interact. energy: -1.815
local terms energy: -232.572386
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -56.358
flat angles C4'-P-C4' energy: -53.971
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -45.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -328.117881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.117881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.117881 (E_RNA)
where:
Base-Base interactions energy: -161.493
where: short stacking energy: -101.972
Base-Backbone interact. energy: -0.450
local terms energy: -166.175215
where:
bonds (distance) C4'-P energy: -37.630
bonds (distance) P-C4' energy: -38.334
flat angles C4'-P-C4' energy: -40.208
flat angles P-C4'-P energy: -37.423
tors. eta vs tors. theta energy: -12.581
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: 461
Temperature: 1.350000
Total energy: -236.912569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.912569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912569 (E_RNA)
where:
Base-Base interactions energy: -93.569
where: short stacking energy: -75.559
Base-Backbone interact. energy: -1.894
local terms energy: -141.448977
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -966.214399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.214399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.214399 (E_RNA)
where:
Base-Base interactions energy: -685.466
where: short stacking energy: -285.415
Base-Backbone interact. energy: -0.949
local terms energy: -279.799554
where:
bonds (distance) C4'-P energy: -49.289
bonds (distance) P-C4' energy: -51.694
flat angles C4'-P-C4' energy: -62.801
flat angles P-C4'-P energy: -31.974
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: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -947.694563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.694563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.694563 (E_RNA)
where:
Base-Base interactions energy: -654.554
where: short stacking energy: -292.569
Base-Backbone interact. energy: -0.381
local terms energy: -292.759407
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -57.410
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -90.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -871.173855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.173855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.173855 (E_RNA)
where:
Base-Base interactions energy: -603.008
where: short stacking energy: -251.929
Base-Backbone interact. energy: -0.759
local terms energy: -267.406867
where:
bonds (distance) C4'-P energy: -53.709
bonds (distance) P-C4' energy: -47.144
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -42.083
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -817.200367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.200367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.200367 (E_RNA)
where:
Base-Base interactions energy: -563.159
where: short stacking energy: -236.273
Base-Backbone interact. energy: -0.569
local terms energy: -253.471813
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -47.964
flat angles C4'-P-C4' energy: -52.932
flat angles P-C4'-P energy: -28.742
tors. eta vs tors. theta energy: -66.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -809.799115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.799115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.799115 (E_RNA)
where:
Base-Base interactions energy: -560.981
where: short stacking energy: -246.721
Base-Backbone interact. energy: -0.294
local terms energy: -248.523435
where:
bonds (distance) C4'-P energy: -47.766
bonds (distance) P-C4' energy: -49.053
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -66.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -747.867155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.867155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.867155 (E_RNA)
where:
Base-Base interactions energy: -520.022
where: short stacking energy: -191.677
Base-Backbone interact. energy: 1.373
local terms energy: -229.217823
where:
bonds (distance) C4'-P energy: -41.094
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -31.631
tors. eta vs tors. theta energy: -48.801
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -775.077666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.077666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.077666 (E_RNA)
where:
Base-Base interactions energy: -530.819
where: short stacking energy: -241.592
Base-Backbone interact. energy: -0.581
local terms energy: -243.676732
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -40.406
flat angles C4'-P-C4' energy: -57.243
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -65.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -609.061228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.061228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.061228 (E_RNA)
where:
Base-Base interactions energy: -390.404
where: short stacking energy: -173.767
Base-Backbone interact. energy: -0.686
local terms energy: -217.970452
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -53.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -250.841339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.841339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.841339 (E_RNA)
where:
Base-Base interactions energy: -118.011
where: short stacking energy: -79.531
Base-Backbone interact. energy: 0.895
local terms energy: -133.725733
where:
bonds (distance) C4'-P energy: -40.814
bonds (distance) P-C4' energy: -54.948
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: 8.958
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: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -306.243080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.243080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.243080 (E_RNA)
where:
Base-Base interactions energy: -153.605
where: short stacking energy: -89.068
Base-Backbone interact. energy: 1.516
local terms energy: -154.154550
where:
bonds (distance) C4'-P energy: -44.327
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -970.332528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.332528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.332528 (E_RNA)
where:
Base-Base interactions energy: -670.876
where: short stacking energy: -279.592
Base-Backbone interact. energy: 0.819
local terms energy: -300.275760
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -63.772
flat angles P-C4'-P energy: -40.034
tors. eta vs tors. theta energy: -82.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -937.179469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.179469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.179469 (E_RNA)
where:
Base-Base interactions energy: -632.034
where: short stacking energy: -276.158
Base-Backbone interact. energy: -1.435
local terms energy: -303.709980
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -64.251
flat angles P-C4'-P energy: -44.610
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: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -893.968462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.968462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.968462 (E_RNA)
where:
Base-Base interactions energy: -612.662
where: short stacking energy: -260.256
Base-Backbone interact. energy: 0.650
local terms energy: -281.956104
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -76.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -825.133891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.133891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.133891 (E_RNA)
where:
Base-Base interactions energy: -564.190
where: short stacking energy: -259.460
Base-Backbone interact. energy: -0.589
local terms energy: -260.354818
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -43.458
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -69.605
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: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -817.103711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.103711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.103711 (E_RNA)
where:
Base-Base interactions energy: -549.190
where: short stacking energy: -245.668
Base-Backbone interact. energy: -1.423
local terms energy: -266.490453
where:
bonds (distance) C4'-P energy: -54.418
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -57.263
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -65.135
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -810.311471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.311471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.311471 (E_RNA)
where:
Base-Base interactions energy: -549.075
where: short stacking energy: -255.255
Base-Backbone interact. energy: -0.980
local terms energy: -260.256503
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -46.111
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -69.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -727.776141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.776141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.776141 (E_RNA)
where:
Base-Base interactions energy: -519.636
where: short stacking energy: -196.779
Base-Backbone interact. energy: -0.614
local terms energy: -207.525523
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -46.054
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -46.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -634.599269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.599269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.599269 (E_RNA)
where:
Base-Base interactions energy: -403.985
where: short stacking energy: -169.061
Base-Backbone interact. energy: 1.762
local terms energy: -232.376404
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -56.526
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -48.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -241.721835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.721835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.721835 (E_RNA)
where:
Base-Base interactions energy: -107.882
where: short stacking energy: -77.808
Base-Backbone interact. energy: -1.352
local terms energy: -132.488233
where:
bonds (distance) C4'-P energy: -41.078
bonds (distance) P-C4' energy: -38.784
flat angles C4'-P-C4' energy: -40.342
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: 7.567
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: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -299.277554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.277554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.277554 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -66.017
Base-Backbone interact. energy: 4.100
local terms energy: -170.995113
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -33.552
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -972.537556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.537556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.537556 (E_RNA)
where:
Base-Base interactions energy: -671.214
where: short stacking energy: -285.188
Base-Backbone interact. energy: -1.093
local terms energy: -300.230620
where:
bonds (distance) C4'-P energy: -52.000
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -58.521
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: -88.610
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: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -905.779954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.779954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.779954 (E_RNA)
where:
Base-Base interactions energy: -614.532
where: short stacking energy: -261.552
Base-Backbone interact. energy: -0.671
local terms energy: -290.576307
where:
bonds (distance) C4'-P energy: -58.753
bonds (distance) P-C4' energy: -48.181
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -40.645
tors. eta vs tors. theta energy: -81.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -875.376939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.376939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.376939 (E_RNA)
where:
Base-Base interactions energy: -597.685
where: short stacking energy: -263.510
Base-Backbone interact. energy: -0.999
local terms energy: -276.693116
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -57.102
flat angles C4'-P-C4' energy: -58.778
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -74.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -825.391756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.391756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.391756 (E_RNA)
where:
Base-Base interactions energy: -562.633
where: short stacking energy: -244.581
Base-Backbone interact. energy: 0.453
local terms energy: -263.211305
where:
bonds (distance) C4'-P energy: -49.148
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -52.667
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -74.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -804.308323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.308323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.308323 (E_RNA)
where:
Base-Base interactions energy: -541.499
where: short stacking energy: -241.047
Base-Backbone interact. energy: -0.618
local terms energy: -262.191391
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -50.045
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -42.136
tors. eta vs tors. theta energy: -64.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -783.663472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.663472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.663472 (E_RNA)
where:
Base-Base interactions energy: -546.537
where: short stacking energy: -224.722
Base-Backbone interact. energy: -1.454
local terms energy: -235.673042
where:
bonds (distance) C4'-P energy: -34.798
bonds (distance) P-C4' energy: -55.879
flat angles C4'-P-C4' energy: -49.849
flat angles P-C4'-P energy: -32.817
tors. eta vs tors. theta energy: -62.331
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: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -766.898527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.898527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.898527 (E_RNA)
where:
Base-Base interactions energy: -537.508
where: short stacking energy: -218.799
Base-Backbone interact. energy: -0.283
local terms energy: -229.107260
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -54.675
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -32.342
tors. eta vs tors. theta energy: -62.384
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: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -645.434628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.434628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.434628 (E_RNA)
where:
Base-Base interactions energy: -419.236
where: short stacking energy: -175.862
Base-Backbone interact. energy: -0.003
local terms energy: -226.195427
where:
bonds (distance) C4'-P energy: -55.384
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -52.418
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -51.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -322.348446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.348446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.348446 (E_RNA)
where:
Base-Base interactions energy: -164.118
where: short stacking energy: -87.643
Base-Backbone interact. energy: 1.455
local terms energy: -159.685475
where:
bonds (distance) C4'-P energy: -43.938
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -42.890
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: 2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -248.400504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.400504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.400504 (E_RNA)
where:
Base-Base interactions energy: -100.886
where: short stacking energy: -92.010
Base-Backbone interact. energy: 0.238
local terms energy: -147.752502
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -32.028
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -962.986321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.986321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.986321 (E_RNA)
where:
Base-Base interactions energy: -670.126
where: short stacking energy: -286.054
Base-Backbone interact. energy: -1.716
local terms energy: -291.143974
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -52.656
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -38.867
tors. eta vs tors. theta energy: -85.720
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: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -922.844199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.844199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.844199 (E_RNA)
where:
Base-Base interactions energy: -637.137
where: short stacking energy: -287.279
Base-Backbone interact. energy: 0.107
local terms energy: -285.814936
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -80.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -869.868035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.868035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.868035 (E_RNA)
where:
Base-Base interactions energy: -594.067
where: short stacking energy: -253.863
Base-Backbone interact. energy: -0.723
local terms energy: -275.078251
where:
bonds (distance) C4'-P energy: -51.565
bonds (distance) P-C4' energy: -54.701
flat angles C4'-P-C4' energy: -60.041
flat angles P-C4'-P energy: -37.661
tors. eta vs tors. theta energy: -71.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -832.546547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.546547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.546547 (E_RNA)
where:
Base-Base interactions energy: -571.536
where: short stacking energy: -262.571
Base-Backbone interact. energy: -1.292
local terms energy: -259.718489
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -50.098
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -75.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -821.302257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.302257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.302257 (E_RNA)
where:
Base-Base interactions energy: -539.028
where: short stacking energy: -243.268
Base-Backbone interact. energy: -0.538
local terms energy: -281.735352
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -59.328
flat angles C4'-P-C4' energy: -56.592
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -73.346
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: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -754.358891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.358891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.358891 (E_RNA)
where:
Base-Base interactions energy: -524.824
where: short stacking energy: -207.729
Base-Backbone interact. energy: 0.754
local terms energy: -230.289371
where:
bonds (distance) C4'-P energy: -42.354
bonds (distance) P-C4' energy: -47.043
flat angles C4'-P-C4' energy: -51.230
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -58.060
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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -754.474758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.474758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.474758 (E_RNA)
where:
Base-Base interactions energy: -516.291
where: short stacking energy: -226.840
Base-Backbone interact. energy: -0.567
local terms energy: -237.616747
where:
bonds (distance) C4'-P energy: -43.505
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -55.553
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: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -675.471546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.471546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.471546 (E_RNA)
where:
Base-Base interactions energy: -463.671
where: short stacking energy: -205.803
Base-Backbone interact. energy: -0.922
local terms energy: -210.877717
where:
bonds (distance) C4'-P energy: -41.530
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -53.393
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -50.095
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: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -346.959150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.959150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.959150 (E_RNA)
where:
Base-Base interactions energy: -160.130
where: short stacking energy: -77.844
Base-Backbone interact. energy: 1.052
local terms energy: -187.881376
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -225.647341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.647341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.647341 (E_RNA)
where:
Base-Base interactions energy: -87.790
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.690
local terms energy: -137.167797
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -32.118
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: 9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -945.221538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.221538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.221538 (E_RNA)
where:
Base-Base interactions energy: -652.140
where: short stacking energy: -259.857
Base-Backbone interact. energy: -0.595
local terms energy: -292.486359
where:
bonds (distance) C4'-P energy: -55.037
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -933.670541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.670541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.670541 (E_RNA)
where:
Base-Base interactions energy: -639.558
where: short stacking energy: -295.623
Base-Backbone interact. energy: -0.225
local terms energy: -293.887879
where:
bonds (distance) C4'-P energy: -48.055
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -56.769
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: -90.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -873.760586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.760586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.760586 (E_RNA)
where:
Base-Base interactions energy: -590.468
where: short stacking energy: -259.765
Base-Backbone interact. energy: -0.307
local terms energy: -282.985691
where:
bonds (distance) C4'-P energy: -44.242
bonds (distance) P-C4' energy: -50.232
flat angles C4'-P-C4' energy: -61.810
flat angles P-C4'-P energy: -48.196
tors. eta vs tors. theta energy: -78.505
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: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -844.236222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.236222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.236222 (E_RNA)
where:
Base-Base interactions energy: -584.376
where: short stacking energy: -244.866
Base-Backbone interact. energy: -0.921
local terms energy: -258.939774
where:
bonds (distance) C4'-P energy: -45.392
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -66.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -800.948133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.948133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.948133 (E_RNA)
where:
Base-Base interactions energy: -548.025
where: short stacking energy: -229.858
Base-Backbone interact. energy: -0.659
local terms energy: -252.264226
where:
bonds (distance) C4'-P energy: -41.392
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -35.994
tors. eta vs tors. theta energy: -65.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -797.111612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.111612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.111612 (E_RNA)
where:
Base-Base interactions energy: -547.762
where: short stacking energy: -236.726
Base-Backbone interact. energy: -2.610
local terms energy: -246.740150
where:
bonds (distance) C4'-P energy: -44.880
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -69.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -752.175647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.175647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.175647 (E_RNA)
where:
Base-Base interactions energy: -497.152
where: short stacking energy: -202.334
Base-Backbone interact. energy: 2.652
local terms energy: -257.676072
where:
bonds (distance) C4'-P energy: -49.933
bonds (distance) P-C4' energy: -50.264
flat angles C4'-P-C4' energy: -53.930
flat angles P-C4'-P energy: -43.531
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: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -687.944776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.944776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.944776 (E_RNA)
where:
Base-Base interactions energy: -470.426
where: short stacking energy: -208.426
Base-Backbone interact. energy: -0.510
local terms energy: -217.008694
where:
bonds (distance) C4'-P energy: -40.885
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -38.970
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -60.972
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: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -349.496407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.496407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.496407 (E_RNA)
where:
Base-Base interactions energy: -194.124
where: short stacking energy: -110.474
Base-Backbone interact. energy: 1.272
local terms energy: -156.644041
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -221.951795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.951795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.951795 (E_RNA)
where:
Base-Base interactions energy: -94.604
where: short stacking energy: -74.193
Base-Backbone interact. energy: -0.534
local terms energy: -126.813641
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: 6.298
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: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -956.573625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.573625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.573625 (E_RNA)
where:
Base-Base interactions energy: -671.396
where: short stacking energy: -286.108
Base-Backbone interact. energy: -1.605
local terms energy: -283.572440
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -47.166
flat angles C4'-P-C4' energy: -60.397
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: -86.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -942.990922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.990922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.990922 (E_RNA)
where:
Base-Base interactions energy: -635.811
where: short stacking energy: -281.708
Base-Backbone interact. energy: -2.503
local terms energy: -304.677331
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -60.811
flat angles C4'-P-C4' energy: -60.763
flat angles P-C4'-P energy: -41.278
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: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -869.979391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.979391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.979391 (E_RNA)
where:
Base-Base interactions energy: -594.051
where: short stacking energy: -266.323
Base-Backbone interact. energy: -1.241
local terms energy: -274.686564
where:
bonds (distance) C4'-P energy: -52.562
bonds (distance) P-C4' energy: -45.449
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -36.220
tors. eta vs tors. theta energy: -80.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -882.117434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.117434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.117434 (E_RNA)
where:
Base-Base interactions energy: -612.610
where: short stacking energy: -246.520
Base-Backbone interact. energy: -0.505
local terms energy: -269.002616
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -46.554
flat angles C4'-P-C4' energy: -58.243
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -78.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -772.542887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.542887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.542887 (E_RNA)
where:
Base-Base interactions energy: -519.088
where: short stacking energy: -218.906
Base-Backbone interact. energy: -0.744
local terms energy: -252.710448
where:
bonds (distance) C4'-P energy: -53.526
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -783.362780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.362780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.362780 (E_RNA)
where:
Base-Base interactions energy: -535.666
where: short stacking energy: -223.682
Base-Backbone interact. energy: -2.078
local terms energy: -245.618321
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -54.162
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -38.971
tors. eta vs tors. theta energy: -67.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -734.697657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.697657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.697657 (E_RNA)
where:
Base-Base interactions energy: -494.561
where: short stacking energy: -212.175
Base-Backbone interact. energy: 1.360
local terms energy: -241.496492
where:
bonds (distance) C4'-P energy: -49.076
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -50.652
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -61.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -653.484280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.484280 (E_RNA)
where:
Base-Base interactions energy: -438.406
where: short stacking energy: -166.758
Base-Backbone interact. energy: -0.737
local terms energy: -214.340965
where:
bonds (distance) C4'-P energy: -48.252
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -26.583
tors. eta vs tors. theta energy: -39.187
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: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -344.033470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.033470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.033470 (E_RNA)
where:
Base-Base interactions energy: -164.990
where: short stacking energy: -99.441
Base-Backbone interact. energy: -1.256
local terms energy: -177.788049
where:
bonds (distance) C4'-P energy: -39.572
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -33.116
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -226.808501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.808501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.808501 (E_RNA)
where:
Base-Base interactions energy: -74.252
where: short stacking energy: -63.164
Base-Backbone interact. energy: 2.724
local terms energy: -155.280695
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -19.143
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: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -950.356065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.356065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.356065 (E_RNA)
where:
Base-Base interactions energy: -651.422
where: short stacking energy: -291.313
Base-Backbone interact. energy: -0.754
local terms energy: -298.180157
where:
bonds (distance) C4'-P energy: -56.097
bonds (distance) P-C4' energy: -53.708
flat angles C4'-P-C4' energy: -65.780
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -83.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -947.329485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.329485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.329485 (E_RNA)
where:
Base-Base interactions energy: -668.771
where: short stacking energy: -283.592
Base-Backbone interact. energy: -0.991
local terms energy: -277.567606
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -61.327
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -85.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -887.314468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.314468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.314468 (E_RNA)
where:
Base-Base interactions energy: -603.035
where: short stacking energy: -268.653
Base-Backbone interact. energy: 0.213
local terms energy: -284.492347
where:
bonds (distance) C4'-P energy: -53.795
bonds (distance) P-C4' energy: -45.010
flat angles C4'-P-C4' energy: -67.469
flat angles P-C4'-P energy: -43.202
tors. eta vs tors. theta energy: -75.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -887.766606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.766606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.766606 (E_RNA)
where:
Base-Base interactions energy: -605.743
where: short stacking energy: -274.007
Base-Backbone interact. energy: -0.278
local terms energy: -281.745330
where:
bonds (distance) C4'-P energy: -47.189
bonds (distance) P-C4' energy: -52.528
flat angles C4'-P-C4' energy: -55.632
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -83.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -808.625934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.625934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.625934 (E_RNA)
where:
Base-Base interactions energy: -557.041
where: short stacking energy: -237.785
Base-Backbone interact. energy: 0.051
local terms energy: -251.636127
where:
bonds (distance) C4'-P energy: -57.634
bonds (distance) P-C4' energy: -53.852
flat angles C4'-P-C4' energy: -46.490
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -63.928
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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -760.267927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.267927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.267927 (E_RNA)
where:
Base-Base interactions energy: -527.280
where: short stacking energy: -233.001
Base-Backbone interact. energy: 1.523
local terms energy: -234.511010
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -46.208
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -34.988
tors. eta vs tors. theta energy: -62.620
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: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -735.779775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.779775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.779775 (E_RNA)
where:
Base-Base interactions energy: -512.831
where: short stacking energy: -218.518
Base-Backbone interact. energy: 0.479
local terms energy: -223.427709
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -51.286
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -60.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -645.675868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.675868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.675868 (E_RNA)
where:
Base-Base interactions energy: -432.944
where: short stacking energy: -185.724
Base-Backbone interact. energy: 0.978
local terms energy: -213.710752
where:
bonds (distance) C4'-P energy: -47.801
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -42.069
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -46.870
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: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -362.057950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.057950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.057950 (E_RNA)
where:
Base-Base interactions energy: -181.036
where: short stacking energy: -105.545
Base-Backbone interact. energy: -0.419
local terms energy: -180.603012
where:
bonds (distance) C4'-P energy: -40.311
bonds (distance) P-C4' energy: -45.845
flat angles C4'-P-C4' energy: -49.898
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -222.015005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.015005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.015005 (E_RNA)
where:
Base-Base interactions energy: -74.451
where: short stacking energy: -69.094
Base-Backbone interact. energy: -1.352
local terms energy: -146.211205
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -948.354197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.354197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.354197 (E_RNA)
where:
Base-Base interactions energy: -657.574
where: short stacking energy: -283.567
Base-Backbone interact. energy: -0.823
local terms energy: -289.956621
where:
bonds (distance) C4'-P energy: -50.426
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -61.631
flat angles P-C4'-P energy: -45.205
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: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -951.823474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.823474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.823474 (E_RNA)
where:
Base-Base interactions energy: -647.730
where: short stacking energy: -269.799
Base-Backbone interact. energy: -1.158
local terms energy: -302.935920
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -58.552
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -46.292
tors. eta vs tors. theta energy: -83.879
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: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -884.088563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.088563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.088563 (E_RNA)
where:
Base-Base interactions energy: -605.693
where: short stacking energy: -267.614
Base-Backbone interact. energy: -0.298
local terms energy: -278.097861
where:
bonds (distance) C4'-P energy: -51.633
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -59.679
flat angles P-C4'-P energy: -40.636
tors. eta vs tors. theta energy: -73.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -840.963906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.963906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.963906 (E_RNA)
where:
Base-Base interactions energy: -565.860
where: short stacking energy: -237.814
Base-Backbone interact. energy: -0.685
local terms energy: -274.418574
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -59.319
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -71.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -823.084191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.084191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.084191 (E_RNA)
where:
Base-Base interactions energy: -555.524
where: short stacking energy: -238.579
Base-Backbone interact. energy: -0.006
local terms energy: -267.553549
where:
bonds (distance) C4'-P energy: -55.290
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -70.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -730.235686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.235686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.235686 (E_RNA)
where:
Base-Base interactions energy: -481.741
where: short stacking energy: -220.369
Base-Backbone interact. energy: -1.393
local terms energy: -247.102182
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -49.015
flat angles P-C4'-P energy: -47.776
tors. eta vs tors. theta energy: -62.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -743.555630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.555630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.555630 (E_RNA)
where:
Base-Base interactions energy: -501.306
where: short stacking energy: -228.208
Base-Backbone interact. energy: -0.063
local terms energy: -242.186386
where:
bonds (distance) C4'-P energy: -50.724
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -63.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -634.167734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.167734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.167734 (E_RNA)
where:
Base-Base interactions energy: -411.704
where: short stacking energy: -182.393
Base-Backbone interact. energy: -0.121
local terms energy: -222.342566
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -54.658
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -44.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -365.232946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.232946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.232946 (E_RNA)
where:
Base-Base interactions energy: -196.669
where: short stacking energy: -105.716
Base-Backbone interact. energy: -1.743
local terms energy: -166.821282
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -51.515
flat angles C4'-P-C4' energy: -44.594
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -223.981862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.981862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.981862 (E_RNA)
where:
Base-Base interactions energy: -83.616
where: short stacking energy: -55.310
Base-Backbone interact. energy: -1.328
local terms energy: -139.037964
where:
bonds (distance) C4'-P energy: -44.450
bonds (distance) P-C4' energy: -45.666
flat angles C4'-P-C4' energy: -40.192
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: 10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -948.825134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.825134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.825134 (E_RNA)
where:
Base-Base interactions energy: -652.178
where: short stacking energy: -289.226
Base-Backbone interact. energy: -0.059
local terms energy: -296.587508
where:
bonds (distance) C4'-P energy: -45.621
bonds (distance) P-C4' energy: -58.184
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -87.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -962.557906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.557906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.557906 (E_RNA)
where:
Base-Base interactions energy: -661.973
where: short stacking energy: -281.601
Base-Backbone interact. energy: -1.064
local terms energy: -299.520971
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -48.700
flat angles C4'-P-C4' energy: -62.911
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -88.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -890.600427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.600427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.600427 (E_RNA)
where:
Base-Base interactions energy: -644.638
where: short stacking energy: -280.624
Base-Backbone interact. energy: -0.999
local terms energy: -244.963779
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -70.534
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: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -856.711918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.711918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.711918 (E_RNA)
where:
Base-Base interactions energy: -585.364
where: short stacking energy: -261.613
Base-Backbone interact. energy: 0.487
local terms energy: -271.834774
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -52.741
flat angles C4'-P-C4' energy: -52.496
flat angles P-C4'-P energy: -38.773
tors. eta vs tors. theta energy: -77.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -809.014487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.014487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.014487 (E_RNA)
where:
Base-Base interactions energy: -567.701
where: short stacking energy: -240.834
Base-Backbone interact. energy: 0.097
local terms energy: -241.410496
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -42.771
flat angles C4'-P-C4' energy: -51.335
flat angles P-C4'-P energy: -35.800
tors. eta vs tors. theta energy: -70.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -752.454478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.454478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.454478 (E_RNA)
where:
Base-Base interactions energy: -519.374
where: short stacking energy: -217.396
Base-Backbone interact. energy: -0.420
local terms energy: -232.659665
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -42.382
flat angles C4'-P-C4' energy: -55.001
flat angles P-C4'-P energy: -33.902
tors. eta vs tors. theta energy: -62.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -672.550983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.550983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.550983 (E_RNA)
where:
Base-Base interactions energy: -452.303
where: short stacking energy: -192.843
Base-Backbone interact. energy: 1.701
local terms energy: -221.948841
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -43.914
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: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -702.179189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.179189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.179189 (E_RNA)
where:
Base-Base interactions energy: -480.410
where: short stacking energy: -181.414
Base-Backbone interact. energy: -0.554
local terms energy: -221.215593
where:
bonds (distance) C4'-P energy: -47.423
bonds (distance) P-C4' energy: -42.465
flat angles C4'-P-C4' energy: -49.598
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -44.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -359.077808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.077808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.077808 (E_RNA)
where:
Base-Base interactions energy: -190.505
where: short stacking energy: -86.093
Base-Backbone interact. energy: 1.012
local terms energy: -169.585660
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -54.393
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -24.704
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -230.499901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.499901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.499901 (E_RNA)
where:
Base-Base interactions energy: -91.792
where: short stacking energy: -60.483
Base-Backbone interact. energy: -2.665
local terms energy: -136.042534
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -46.885
flat angles C4'-P-C4' energy: -41.754
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: 11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -962.506675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.506675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.506675 (E_RNA)
where:
Base-Base interactions energy: -683.283
where: short stacking energy: -301.739
Base-Backbone interact. energy: -0.001
local terms energy: -279.223002
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -52.803
flat angles C4'-P-C4' energy: -57.755
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -75.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -950.770759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.770759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.770759 (E_RNA)
where:
Base-Base interactions energy: -655.026
where: short stacking energy: -283.717
Base-Backbone interact. energy: -0.894
local terms energy: -294.849884
where:
bonds (distance) C4'-P energy: -51.331
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -57.470
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -87.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -886.284964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.284964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.284964 (E_RNA)
where:
Base-Base interactions energy: -614.932
where: short stacking energy: -279.692
Base-Backbone interact. energy: 1.436
local terms energy: -272.789140
where:
bonds (distance) C4'-P energy: -47.974
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -56.888
flat angles P-C4'-P energy: -43.471
tors. eta vs tors. theta energy: -77.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -829.272324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.272324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.272324 (E_RNA)
where:
Base-Base interactions energy: -575.146
where: short stacking energy: -241.215
Base-Backbone interact. energy: -1.587
local terms energy: -252.538895
where:
bonds (distance) C4'-P energy: -45.316
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -45.328
flat angles P-C4'-P energy: -38.581
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: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -805.116059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.116059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.116059 (E_RNA)
where:
Base-Base interactions energy: -559.270
where: short stacking energy: -236.669
Base-Backbone interact. energy: -1.970
local terms energy: -243.876560
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -50.190
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -35.997
tors. eta vs tors. theta energy: -56.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -770.775913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.775913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.775913 (E_RNA)
where:
Base-Base interactions energy: -527.604
where: short stacking energy: -220.490
Base-Backbone interact. energy: -0.428
local terms energy: -242.744641
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -55.593
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -69.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -661.353930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.353930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.353930 (E_RNA)
where:
Base-Base interactions energy: -434.061
where: short stacking energy: -188.750
Base-Backbone interact. energy: 0.128
local terms energy: -227.421108
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -33.903
tors. eta vs tors. theta energy: -56.494
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: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -700.117678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.117678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.117678 (E_RNA)
where:
Base-Base interactions energy: -496.459
where: short stacking energy: -215.783
Base-Backbone interact. energy: -1.307
local terms energy: -202.351749
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -52.310
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -338.991808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.991808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.991808 (E_RNA)
where:
Base-Base interactions energy: -174.240
where: short stacking energy: -105.859
Base-Backbone interact. energy: 1.195
local terms energy: -165.946203
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -15.567
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: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -225.058897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.058897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.058897 (E_RNA)
where:
Base-Base interactions energy: -83.668
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.222
local terms energy: -141.168820
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: 8.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -962.596144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.596144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.596144 (E_RNA)
where:
Base-Base interactions energy: -683.261
where: short stacking energy: -300.059
Base-Backbone interact. energy: 0.078
local terms energy: -279.412674
where:
bonds (distance) C4'-P energy: -43.377
bonds (distance) P-C4' energy: -54.930
flat angles C4'-P-C4' energy: -62.984
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -82.237
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: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -925.953052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.953052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.953052 (E_RNA)
where:
Base-Base interactions energy: -630.421
where: short stacking energy: -274.284
Base-Backbone interact. energy: -1.924
local terms energy: -293.607866
where:
bonds (distance) C4'-P energy: -60.007
bonds (distance) P-C4' energy: -54.489
flat angles C4'-P-C4' energy: -60.968
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -81.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -895.503661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.503661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.503661 (E_RNA)
where:
Base-Base interactions energy: -632.574
where: short stacking energy: -258.886
Base-Backbone interact. energy: -0.903
local terms energy: -262.026583
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -57.672
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -73.459
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: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -850.746835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.746835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.746835 (E_RNA)
where:
Base-Base interactions energy: -576.309
where: short stacking energy: -261.272
Base-Backbone interact. energy: -1.150
local terms energy: -273.288415
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -57.782
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -76.866
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: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -809.235977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.235977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.235977 (E_RNA)
where:
Base-Base interactions energy: -561.361
where: short stacking energy: -250.016
Base-Backbone interact. energy: -0.711
local terms energy: -247.164246
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -58.954
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -68.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -771.561976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.561976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.561976 (E_RNA)
where:
Base-Base interactions energy: -554.114
where: short stacking energy: -235.174
Base-Backbone interact. energy: 0.922
local terms energy: -218.370694
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -40.368
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -66.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -662.662841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.662841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.662841 (E_RNA)
where:
Base-Base interactions energy: -432.696
where: short stacking energy: -174.053
Base-Backbone interact. energy: 1.694
local terms energy: -231.660620
where:
bonds (distance) C4'-P energy: -44.461
bonds (distance) P-C4' energy: -47.347
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -672.013661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.013661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.013661 (E_RNA)
where:
Base-Base interactions energy: -442.219
where: short stacking energy: -185.950
Base-Backbone interact. energy: -0.398
local terms energy: -229.396040
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -45.912
flat angles C4'-P-C4' energy: -46.740
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -48.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -338.077774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.077774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.077774 (E_RNA)
where:
Base-Base interactions energy: -175.143
where: short stacking energy: -105.425
Base-Backbone interact. energy: 2.014
local terms energy: -164.949096
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -54.662
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -231.187336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.187336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.187336 (E_RNA)
where:
Base-Base interactions energy: -88.603
where: short stacking energy: -83.370
Base-Backbone interact. energy: -0.478
local terms energy: -142.106536
where:
bonds (distance) C4'-P energy: -41.392
bonds (distance) P-C4' energy: -36.130
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -14.810
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: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -947.229119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.229119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.229119 (E_RNA)
where:
Base-Base interactions energy: -644.305
where: short stacking energy: -267.381
Base-Backbone interact. energy: -1.531
local terms energy: -301.392426
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -61.024
flat angles C4'-P-C4' energy: -57.875
flat angles P-C4'-P energy: -47.623
tors. eta vs tors. theta energy: -80.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -943.212068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.212068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.212068 (E_RNA)
where:
Base-Base interactions energy: -645.851
where: short stacking energy: -291.589
Base-Backbone interact. energy: 0.242
local terms energy: -297.602618
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -57.483
flat angles C4'-P-C4' energy: -58.921
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -92.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -878.754628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.754628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.754628 (E_RNA)
where:
Base-Base interactions energy: -608.375
where: short stacking energy: -262.234
Base-Backbone interact. energy: -0.248
local terms energy: -270.131942
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -53.225
flat angles C4'-P-C4' energy: -61.035
flat angles P-C4'-P energy: -32.623
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: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -858.833135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.833135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.833135 (E_RNA)
where:
Base-Base interactions energy: -582.395
where: short stacking energy: -265.878
Base-Backbone interact. energy: 0.935
local terms energy: -277.373250
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -47.370
flat angles C4'-P-C4' energy: -56.171
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -84.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -806.028388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.028388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.028388 (E_RNA)
where:
Base-Base interactions energy: -555.657
where: short stacking energy: -252.245
Base-Backbone interact. energy: -0.253
local terms energy: -250.117708
where:
bonds (distance) C4'-P energy: -39.653
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -33.022
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: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -739.221282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.221282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.221282 (E_RNA)
where:
Base-Base interactions energy: -492.349
where: short stacking energy: -208.564
Base-Backbone interact. energy: -1.060
local terms energy: -245.812481
where:
bonds (distance) C4'-P energy: -44.660
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -55.217
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -58.041
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: 473
Temperature: 1.200000
Total energy: -660.719567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.719567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.719567 (E_RNA)
where:
Base-Base interactions energy: -436.385
where: short stacking energy: -185.368
Base-Backbone interact. energy: -1.430
local terms energy: -222.904693
where:
bonds (distance) C4'-P energy: -47.584
bonds (distance) P-C4' energy: -53.685
flat angles C4'-P-C4' energy: -47.916
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -40.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -664.573396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.573396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.573396 (E_RNA)
where:
Base-Base interactions energy: -434.493
where: short stacking energy: -198.274
Base-Backbone interact. energy: 0.192
local terms energy: -230.272436
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -47.681
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: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -350.864771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.864771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.864771 (E_RNA)
where:
Base-Base interactions energy: -179.717
where: short stacking energy: -105.280
Base-Backbone interact. energy: -0.789
local terms energy: -170.358695
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -51.096
flat angles C4'-P-C4' energy: -47.180
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -221.616759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.616759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.616759 (E_RNA)
where:
Base-Base interactions energy: -70.386
where: short stacking energy: -57.813
Base-Backbone interact. energy: -1.206
local terms energy: -150.024816
where:
bonds (distance) C4'-P energy: -46.653
bonds (distance) P-C4' energy: -51.187
flat angles C4'-P-C4' energy: -41.689
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: 11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -954.333046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.333046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.333046 (E_RNA)
where:
Base-Base interactions energy: -649.773
where: short stacking energy: -280.744
Base-Backbone interact. energy: -1.141
local terms energy: -303.419125
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -54.785
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -43.290
tors. eta vs tors. theta energy: -83.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -955.479886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.479886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.479886 (E_RNA)
where:
Base-Base interactions energy: -662.009
where: short stacking energy: -277.978
Base-Backbone interact. energy: -1.896
local terms energy: -291.575520
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -55.588
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -36.750
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: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -885.900642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.900642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.900642 (E_RNA)
where:
Base-Base interactions energy: -606.708
where: short stacking energy: -264.044
Base-Backbone interact. energy: -0.671
local terms energy: -278.521555
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -51.582
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -38.639
tors. eta vs tors. theta energy: -76.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -854.665171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.665171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.665171 (E_RNA)
where:
Base-Base interactions energy: -565.682
where: short stacking energy: -260.955
Base-Backbone interact. energy: -0.475
local terms energy: -288.508692
where:
bonds (distance) C4'-P energy: -50.897
bonds (distance) P-C4' energy: -58.148
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -37.898
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: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -821.665743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.665743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.665743 (E_RNA)
where:
Base-Base interactions energy: -564.244
where: short stacking energy: -260.457
Base-Backbone interact. energy: -0.569
local terms energy: -256.852010
where:
bonds (distance) C4'-P energy: -52.349
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -50.874
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -68.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -750.777366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.777366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.777366 (E_RNA)
where:
Base-Base interactions energy: -502.690
where: short stacking energy: -225.613
Base-Backbone interact. energy: 2.543
local terms energy: -250.630909
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -49.798
flat angles C4'-P-C4' energy: -52.111
flat angles P-C4'-P energy: -36.904
tors. eta vs tors. theta energy: -66.863
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: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -707.380824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.380824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.380824 (E_RNA)
where:
Base-Base interactions energy: -478.190
where: short stacking energy: -209.904
Base-Backbone interact. energy: -1.563
local terms energy: -227.628140
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -65.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -652.180791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.180791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.180791 (E_RNA)
where:
Base-Base interactions energy: -427.164
where: short stacking energy: -174.615
Base-Backbone interact. energy: 1.039
local terms energy: -226.055896
where:
bonds (distance) C4'-P energy: -49.246
bonds (distance) P-C4' energy: -49.271
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -46.445
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: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -323.872742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.872742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.872742 (E_RNA)
where:
Base-Base interactions energy: -148.743
where: short stacking energy: -97.938
Base-Backbone interact. energy: 1.349
local terms energy: -176.478689
where:
bonds (distance) C4'-P energy: -36.268
bonds (distance) P-C4' energy: -51.352
flat angles C4'-P-C4' energy: -51.024
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -9.258
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: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -223.127833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.127833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.127833 (E_RNA)
where:
Base-Base interactions energy: -68.209
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.762
local terms energy: -154.157419
where:
bonds (distance) C4'-P energy: -42.429
bonds (distance) P-C4' energy: -48.270
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -959.735563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.735563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.735563 (E_RNA)
where:
Base-Base interactions energy: -658.726
where: short stacking energy: -290.304
Base-Backbone interact. energy: -0.918
local terms energy: -300.090677
where:
bonds (distance) C4'-P energy: -47.638
bonds (distance) P-C4' energy: -49.193
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -49.589
tors. eta vs tors. theta energy: -92.306
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: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -927.069611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.069611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.069611 (E_RNA)
where:
Base-Base interactions energy: -651.954
where: short stacking energy: -276.642
Base-Backbone interact. energy: 0.552
local terms energy: -275.667517
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -51.451
flat angles C4'-P-C4' energy: -57.786
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -78.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -890.017397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.017397 (E_RNA)
where:
Base-Base interactions energy: -623.531
where: short stacking energy: -272.178
Base-Backbone interact. energy: -0.699
local terms energy: -265.787104
where:
bonds (distance) C4'-P energy: -42.836
bonds (distance) P-C4' energy: -48.843
flat angles C4'-P-C4' energy: -59.789
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -74.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -835.518482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.518482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.518482 (E_RNA)
where:
Base-Base interactions energy: -572.612
where: short stacking energy: -265.061
Base-Backbone interact. energy: -0.385
local terms energy: -262.521179
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -46.772
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -36.211
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: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -822.570572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.570572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.570572 (E_RNA)
where:
Base-Base interactions energy: -560.671
where: short stacking energy: -251.974
Base-Backbone interact. energy: 0.853
local terms energy: -262.753005
where:
bonds (distance) C4'-P energy: -45.250
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -55.212
flat angles P-C4'-P energy: -39.565
tors. eta vs tors. theta energy: -74.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -762.237501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.237501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.237501 (E_RNA)
where:
Base-Base interactions energy: -526.577
where: short stacking energy: -221.210
Base-Backbone interact. energy: 1.111
local terms energy: -236.771422
where:
bonds (distance) C4'-P energy: -41.152
bonds (distance) P-C4' energy: -51.926
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -31.893
tors. eta vs tors. theta energy: -60.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -723.076801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.076801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.076801 (E_RNA)
where:
Base-Base interactions energy: -494.352
where: short stacking energy: -213.361
Base-Backbone interact. energy: 0.006
local terms energy: -228.730542
where:
bonds (distance) C4'-P energy: -41.181
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -48.432
flat angles P-C4'-P energy: -30.786
tors. eta vs tors. theta energy: -63.733
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: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -680.661002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.661002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.661002 (E_RNA)
where:
Base-Base interactions energy: -469.813
where: short stacking energy: -208.324
Base-Backbone interact. energy: -0.728
local terms energy: -210.120508
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -41.213
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -48.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -344.418721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.418721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.418721 (E_RNA)
where:
Base-Base interactions energy: -171.809
where: short stacking energy: -112.301
Base-Backbone interact. energy: -0.883
local terms energy: -171.726565
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -52.687
flat angles C4'-P-C4' energy: -41.617
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -213.799751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.799751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.799751 (E_RNA)
where:
Base-Base interactions energy: -72.166
where: short stacking energy: -45.730
Base-Backbone interact. energy: -2.243
local terms energy: -139.390215
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -46.346
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: 12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -964.487272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.487272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.487272 (E_RNA)
where:
Base-Base interactions energy: -669.367
where: short stacking energy: -269.123
Base-Backbone interact. energy: 0.551
local terms energy: -295.670995
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -56.093
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -77.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -932.337056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.337056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.337056 (E_RNA)
where:
Base-Base interactions energy: -639.956
where: short stacking energy: -279.259
Base-Backbone interact. energy: -1.000
local terms energy: -291.381230
where:
bonds (distance) C4'-P energy: -53.908
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -81.318
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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -892.207890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.207890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.207890 (E_RNA)
where:
Base-Base interactions energy: -608.268
where: short stacking energy: -256.496
Base-Backbone interact. energy: -0.298
local terms energy: -283.641492
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -59.498
flat angles C4'-P-C4' energy: -58.900
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: -70.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -834.522320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.522320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.522320 (E_RNA)
where:
Base-Base interactions energy: -571.526
where: short stacking energy: -248.096
Base-Backbone interact. energy: -0.278
local terms energy: -262.717511
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -47.622
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -74.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -826.449840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.449840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.449840 (E_RNA)
where:
Base-Base interactions energy: -571.730
where: short stacking energy: -254.670
Base-Backbone interact. energy: -0.702
local terms energy: -254.017615
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -32.894
tors. eta vs tors. theta energy: -73.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -776.319304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.319304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.319304 (E_RNA)
where:
Base-Base interactions energy: -543.000
where: short stacking energy: -228.516
Base-Backbone interact. energy: 0.065
local terms energy: -233.384442
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -36.915
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: -59.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -704.501405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.501405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.501405 (E_RNA)
where:
Base-Base interactions energy: -458.584
where: short stacking energy: -206.366
Base-Backbone interact. energy: -0.580
local terms energy: -245.337562
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -46.546
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -64.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -643.452264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.452264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.452264 (E_RNA)
where:
Base-Base interactions energy: -435.433
where: short stacking energy: -189.192
Base-Backbone interact. energy: -0.957
local terms energy: -207.061991
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -44.682
flat angles C4'-P-C4' energy: -49.392
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -374.145801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.145801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.145801 (E_RNA)
where:
Base-Base interactions energy: -200.144
where: short stacking energy: -118.206
Base-Backbone interact. energy: -0.824
local terms energy: -173.177325
where:
bonds (distance) C4'-P energy: -40.838
bonds (distance) P-C4' energy: -47.285
flat angles C4'-P-C4' energy: -53.325
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -14.301
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: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -238.168074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.168074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.168074 (E_RNA)
where:
Base-Base interactions energy: -75.043
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.846
local terms energy: -162.279777
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -52.397
flat angles C4'-P-C4' energy: -38.297
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: 2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -957.309166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.309166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.309166 (E_RNA)
where:
Base-Base interactions energy: -676.326
where: short stacking energy: -282.174
Base-Backbone interact. energy: -1.199
local terms energy: -279.784200
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -51.368
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: -82.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -933.053009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.053009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.053009 (E_RNA)
where:
Base-Base interactions energy: -651.832
where: short stacking energy: -277.853
Base-Backbone interact. energy: -2.198
local terms energy: -279.023212
where:
bonds (distance) C4'-P energy: -55.275
bonds (distance) P-C4' energy: -59.788
flat angles C4'-P-C4' energy: -57.043
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -74.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -894.504085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.504085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.504085 (E_RNA)
where:
Base-Base interactions energy: -617.740
where: short stacking energy: -262.805
Base-Backbone interact. energy: 0.321
local terms energy: -277.084739
where:
bonds (distance) C4'-P energy: -51.138
bonds (distance) P-C4' energy: -54.657
flat angles C4'-P-C4' energy: -62.619
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -72.347
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: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -857.295963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.295963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.295963 (E_RNA)
where:
Base-Base interactions energy: -578.186
where: short stacking energy: -251.982
Base-Backbone interact. energy: -0.665
local terms energy: -278.445056
where:
bonds (distance) C4'-P energy: -50.113
bonds (distance) P-C4' energy: -50.460
flat angles C4'-P-C4' energy: -63.200
flat angles P-C4'-P energy: -35.487
tors. eta vs tors. theta energy: -79.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -831.141126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.141126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.141126 (E_RNA)
where:
Base-Base interactions energy: -554.625
where: short stacking energy: -239.442
Base-Backbone interact. energy: -1.491
local terms energy: -275.024695
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -51.920
flat angles C4'-P-C4' energy: -55.698
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -73.177
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: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -750.709972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.709972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.709972 (E_RNA)
where:
Base-Base interactions energy: -511.036
where: short stacking energy: -219.482
Base-Backbone interact. energy: -0.916
local terms energy: -238.758103
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -57.346
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -58.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -732.540775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.540775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.540775 (E_RNA)
where:
Base-Base interactions energy: -496.880
where: short stacking energy: -205.339
Base-Backbone interact. energy: -0.446
local terms energy: -235.215272
where:
bonds (distance) C4'-P energy: -38.208
bonds (distance) P-C4' energy: -54.282
flat angles C4'-P-C4' energy: -47.708
flat angles P-C4'-P energy: -28.751
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: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -659.878139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.878139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.878139 (E_RNA)
where:
Base-Base interactions energy: -431.772
where: short stacking energy: -178.162
Base-Backbone interact. energy: -0.968
local terms energy: -227.137902
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -44.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -352.707762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.707762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.707762 (E_RNA)
where:
Base-Base interactions energy: -172.843
where: short stacking energy: -98.090
Base-Backbone interact. energy: 4.348
local terms energy: -184.212461
where:
bonds (distance) C4'-P energy: -46.341
bonds (distance) P-C4' energy: -53.912
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -235.089572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.089572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.089572 (E_RNA)
where:
Base-Base interactions energy: -91.961
where: short stacking energy: -56.730
Base-Backbone interact. energy: -1.662
local terms energy: -141.466230
where:
bonds (distance) C4'-P energy: -41.361
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: 14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -953.580108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.580108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.580108 (E_RNA)
where:
Base-Base interactions energy: -660.748
where: short stacking energy: -277.417
Base-Backbone interact. energy: -1.711
local terms energy: -291.121023
where:
bonds (distance) C4'-P energy: -54.116
bonds (distance) P-C4' energy: -54.087
flat angles C4'-P-C4' energy: -65.364
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -80.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -953.606258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.606258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.606258 (E_RNA)
where:
Base-Base interactions energy: -650.989
where: short stacking energy: -272.064
Base-Backbone interact. energy: -1.450
local terms energy: -301.167642
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -54.843
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -88.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -876.105714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.105714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.105714 (E_RNA)
where:
Base-Base interactions energy: -590.365
where: short stacking energy: -264.708
Base-Backbone interact. energy: -1.700
local terms energy: -284.041597
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -56.702
flat angles C4'-P-C4' energy: -59.378
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -74.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -875.874548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.874548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.874548 (E_RNA)
where:
Base-Base interactions energy: -596.427
where: short stacking energy: -250.736
Base-Backbone interact. energy: -0.690
local terms energy: -278.758233
where:
bonds (distance) C4'-P energy: -55.793
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -74.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -813.755558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.755558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.755558 (E_RNA)
where:
Base-Base interactions energy: -562.176
where: short stacking energy: -241.302
Base-Backbone interact. energy: -0.584
local terms energy: -250.995670
where:
bonds (distance) C4'-P energy: -43.221
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -54.077
flat angles P-C4'-P energy: -30.546
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: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -744.167355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.167355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.167355 (E_RNA)
where:
Base-Base interactions energy: -492.807
where: short stacking energy: -205.800
Base-Backbone interact. energy: -0.485
local terms energy: -250.874889
where:
bonds (distance) C4'-P energy: -48.647
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -42.086
tors. eta vs tors. theta energy: -59.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -708.200436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.200436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.200436 (E_RNA)
where:
Base-Base interactions energy: -478.847
where: short stacking energy: -200.207
Base-Backbone interact. energy: -1.174
local terms energy: -228.179560
where:
bonds (distance) C4'-P energy: -39.689
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -57.194
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: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -644.568492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.568492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.568492 (E_RNA)
where:
Base-Base interactions energy: -434.167
where: short stacking energy: -194.568
Base-Backbone interact. energy: -0.674
local terms energy: -209.726745
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -50.798
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -47.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -349.502699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.502699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.502699 (E_RNA)
where:
Base-Base interactions energy: -185.168
where: short stacking energy: -90.328
Base-Backbone interact. energy: -1.949
local terms energy: -162.385321
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -48.801
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -12.489
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: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -217.846738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.846738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.846738 (E_RNA)
where:
Base-Base interactions energy: -75.369
where: short stacking energy: -61.148
Base-Backbone interact. energy: 7.933
local terms energy: -150.410184
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -48.623
flat angles C4'-P-C4' energy: -51.163
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: 11.555
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: 1, replica: 8
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -959.260305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.260305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.260305 (E_RNA)
where:
Base-Base interactions energy: -658.583
where: short stacking energy: -296.500
Base-Backbone interact. energy: 0.879
local terms energy: -301.555753
where:
bonds (distance) C4'-P energy: -54.380
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -65.676
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -88.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -962.387790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.387790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.387790 (E_RNA)
where:
Base-Base interactions energy: -677.098
where: short stacking energy: -288.307
Base-Backbone interact. energy: 0.381
local terms energy: -285.670382
where:
bonds (distance) C4'-P energy: -57.139
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -82.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -857.074500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.074500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.074500 (E_RNA)
where:
Base-Base interactions energy: -582.570
where: short stacking energy: -261.108
Base-Backbone interact. energy: -0.795
local terms energy: -273.709932
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -58.835
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -77.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -857.114577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.114577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.114577 (E_RNA)
where:
Base-Base interactions energy: -590.063
where: short stacking energy: -255.958
Base-Backbone interact. energy: 0.332
local terms energy: -267.383598
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -30.302
tors. eta vs tors. theta energy: -69.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -802.212147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.212147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.212147 (E_RNA)
where:
Base-Base interactions energy: -563.644
where: short stacking energy: -244.440
Base-Backbone interact. energy: -0.274
local terms energy: -238.294933
where:
bonds (distance) C4'-P energy: -50.026
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -55.867
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -70.068
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: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -743.893631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.893631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.893631 (E_RNA)
where:
Base-Base interactions energy: -505.683
where: short stacking energy: -206.928
Base-Backbone interact. energy: 0.348
local terms energy: -238.558544
where:
bonds (distance) C4'-P energy: -39.257
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -58.643
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: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -701.079917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.079917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.079917 (E_RNA)
where:
Base-Base interactions energy: -475.517
where: short stacking energy: -218.087
Base-Backbone interact. energy: 0.237
local terms energy: -225.799384
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -67.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -659.652617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.652617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.652617 (E_RNA)
where:
Base-Base interactions energy: -436.376
where: short stacking energy: -176.666
Base-Backbone interact. energy: 4.795
local terms energy: -228.071784
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -36.285
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: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -345.103850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.103850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.103850 (E_RNA)
where:
Base-Base interactions energy: -185.547
where: short stacking energy: -109.965
Base-Backbone interact. energy: 0.330
local terms energy: -159.886138
where:
bonds (distance) C4'-P energy: -43.962
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -232.597680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.597680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.597680 (E_RNA)
where:
Base-Base interactions energy: -91.280
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.456
local terms energy: -140.861961
where:
bonds (distance) C4'-P energy: -42.887
bonds (distance) P-C4' energy: -55.060
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: 6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -956.471663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.471663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.471663 (E_RNA)
where:
Base-Base interactions energy: -652.055
where: short stacking energy: -286.572
Base-Backbone interact. energy: -0.961
local terms energy: -303.456152
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -54.165
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -50.440
tors. eta vs tors. theta energy: -85.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -948.126651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.126651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.126651 (E_RNA)
where:
Base-Base interactions energy: -652.059
where: short stacking energy: -277.508
Base-Backbone interact. energy: -3.077
local terms energy: -292.990599
where:
bonds (distance) C4'-P energy: -58.001
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -60.862
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -80.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -896.174583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.174583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.174583 (E_RNA)
where:
Base-Base interactions energy: -612.926
where: short stacking energy: -258.120
Base-Backbone interact. energy: -0.774
local terms energy: -282.475058
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -56.251
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -71.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -860.031175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.031175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.031175 (E_RNA)
where:
Base-Base interactions energy: -569.657
where: short stacking energy: -263.357
Base-Backbone interact. energy: -0.591
local terms energy: -289.783366
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -53.333
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -36.550
tors. eta vs tors. theta energy: -81.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -803.361710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.361710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.361710 (E_RNA)
where:
Base-Base interactions energy: -560.916
where: short stacking energy: -245.965
Base-Backbone interact. energy: 1.088
local terms energy: -243.534296
where:
bonds (distance) C4'-P energy: -32.678
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -36.158
tors. eta vs tors. theta energy: -66.994
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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -800.735062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.735062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.735062 (E_RNA)
where:
Base-Base interactions energy: -541.505
where: short stacking energy: -224.292
Base-Backbone interact. energy: 0.130
local terms energy: -259.360742
where:
bonds (distance) C4'-P energy: -47.995
bonds (distance) P-C4' energy: -46.985
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -33.405
tors. eta vs tors. theta energy: -72.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -691.630929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.630929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.630929 (E_RNA)
where:
Base-Base interactions energy: -446.803
where: short stacking energy: -196.047
Base-Backbone interact. energy: -0.627
local terms energy: -244.200181
where:
bonds (distance) C4'-P energy: -37.465
bonds (distance) P-C4' energy: -49.913
flat angles C4'-P-C4' energy: -56.984
flat angles P-C4'-P energy: -39.655
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: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -710.799971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.799971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.799971 (E_RNA)
where:
Base-Base interactions energy: -499.217
where: short stacking energy: -212.685
Base-Backbone interact. energy: 0.650
local terms energy: -212.233411
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -45.310
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -58.641
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: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -409.045042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.045042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.045042 (E_RNA)
where:
Base-Base interactions energy: -242.223
where: short stacking energy: -110.231
Base-Backbone interact. energy: -1.221
local terms energy: -165.601040
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -218.092505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.092505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.092505 (E_RNA)
where:
Base-Base interactions energy: -82.111
where: short stacking energy: -67.913
Base-Backbone interact. energy: -0.731
local terms energy: -135.250368
where:
bonds (distance) C4'-P energy: -43.708
bonds (distance) P-C4' energy: -42.033
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -957.400856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.400856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.400856 (E_RNA)
where:
Base-Base interactions energy: -664.864
where: short stacking energy: -283.486
Base-Backbone interact. energy: 0.194
local terms energy: -292.730583
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -42.917
tors. eta vs tors. theta energy: -88.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -944.714438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.714438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.714438 (E_RNA)
where:
Base-Base interactions energy: -650.090
where: short stacking energy: -286.069
Base-Backbone interact. energy: -1.411
local terms energy: -293.213164
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -48.641
flat angles C4'-P-C4' energy: -65.077
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -85.475
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: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -893.502108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.502108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.502108 (E_RNA)
where:
Base-Base interactions energy: -607.285
where: short stacking energy: -266.381
Base-Backbone interact. energy: -1.597
local terms energy: -284.619857
where:
bonds (distance) C4'-P energy: -55.963
bonds (distance) P-C4' energy: -53.899
flat angles C4'-P-C4' energy: -57.222
flat angles P-C4'-P energy: -38.217
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: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -860.268026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.268026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.268026 (E_RNA)
where:
Base-Base interactions energy: -599.293
where: short stacking energy: -271.722
Base-Backbone interact. energy: -0.496
local terms energy: -260.479562
where:
bonds (distance) C4'-P energy: -40.340
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -73.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -802.507809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.507809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.507809 (E_RNA)
where:
Base-Base interactions energy: -550.291
where: short stacking energy: -242.990
Base-Backbone interact. energy: -1.002
local terms energy: -251.214541
where:
bonds (distance) C4'-P energy: -44.459
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: -61.477
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: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -788.735498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.735498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.735498 (E_RNA)
where:
Base-Base interactions energy: -556.806
where: short stacking energy: -235.968
Base-Backbone interact. energy: -0.834
local terms energy: -231.095706
where:
bonds (distance) C4'-P energy: -37.700
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -46.100
flat angles P-C4'-P energy: -33.062
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -684.860112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.860112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.860112 (E_RNA)
where:
Base-Base interactions energy: -447.322
where: short stacking energy: -199.914
Base-Backbone interact. energy: -0.534
local terms energy: -237.004213
where:
bonds (distance) C4'-P energy: -56.393
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -49.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -694.033212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.033212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.033212 (E_RNA)
where:
Base-Base interactions energy: -471.461
where: short stacking energy: -205.959
Base-Backbone interact. energy: -0.092
local terms energy: -222.480501
where:
bonds (distance) C4'-P energy: -47.072
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -48.345
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -56.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -389.794743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.794743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.794743 (E_RNA)
where:
Base-Base interactions energy: -235.152
where: short stacking energy: -108.352
Base-Backbone interact. energy: -1.215
local terms energy: -153.428003
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -236.188509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.188509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.188509 (E_RNA)
where:
Base-Base interactions energy: -85.250
where: short stacking energy: -81.151
Base-Backbone interact. energy: 5.497
local terms energy: -156.435126
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -57.785
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -967.256249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.256249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.256249 (E_RNA)
where:
Base-Base interactions energy: -680.411
where: short stacking energy: -286.625
Base-Backbone interact. energy: 0.389
local terms energy: -287.234649
where:
bonds (distance) C4'-P energy: -49.151
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -84.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -934.387553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.387553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.387553 (E_RNA)
where:
Base-Base interactions energy: -641.437
where: short stacking energy: -268.246
Base-Backbone interact. energy: -1.246
local terms energy: -291.704249
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -58.015
flat angles C4'-P-C4' energy: -62.743
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: -83.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -878.964321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.964321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.964321 (E_RNA)
where:
Base-Base interactions energy: -602.465
where: short stacking energy: -243.360
Base-Backbone interact. energy: -0.311
local terms energy: -276.189089
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -56.140
flat angles C4'-P-C4' energy: -61.358
flat angles P-C4'-P energy: -40.618
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: 4, replica: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -846.364153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.364153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.364153 (E_RNA)
where:
Base-Base interactions energy: -581.094
where: short stacking energy: -261.488
Base-Backbone interact. energy: 2.150
local terms energy: -267.420860
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -52.282
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: -72.063
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -815.707041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.707041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.707041 (E_RNA)
where:
Base-Base interactions energy: -550.974
where: short stacking energy: -244.277
Base-Backbone interact. energy: -0.351
local terms energy: -264.382152
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -56.792
flat angles P-C4'-P energy: -38.664
tors. eta vs tors. theta energy: -68.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -762.158507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.158507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.158507 (E_RNA)
where:
Base-Base interactions energy: -529.622
where: short stacking energy: -219.616
Base-Backbone interact. energy: -0.960
local terms energy: -231.576720
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -51.606
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -56.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -685.749471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.749471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.749471 (E_RNA)
where:
Base-Base interactions energy: -453.517
where: short stacking energy: -185.702
Base-Backbone interact. energy: -0.968
local terms energy: -231.265138
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -44.444
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: -58.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -658.085109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.085109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.085109 (E_RNA)
where:
Base-Base interactions energy: -428.490
where: short stacking energy: -179.523
Base-Backbone interact. energy: -1.094
local terms energy: -228.501252
where:
bonds (distance) C4'-P energy: -55.065
bonds (distance) P-C4' energy: -48.532
flat angles C4'-P-C4' energy: -49.999
flat angles P-C4'-P energy: -24.716
tors. eta vs tors. theta energy: -50.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -417.664017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.664017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.664017 (E_RNA)
where:
Base-Base interactions energy: -233.710
where: short stacking energy: -107.590
Base-Backbone interact. energy: -0.744
local terms energy: -183.209865
where:
bonds (distance) C4'-P energy: -58.732
bonds (distance) P-C4' energy: -49.974
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -17.741
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: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -243.851177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.851177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.851177 (E_RNA)
where:
Base-Base interactions energy: -101.264
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.861
local terms energy: -141.725750
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -55.145
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: 2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -959.807493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.807493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.807493 (E_RNA)
where:
Base-Base interactions energy: -667.942
where: short stacking energy: -281.484
Base-Backbone interact. energy: -1.964
local terms energy: -289.901098
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -48.810
flat angles C4'-P-C4' energy: -61.810
flat angles P-C4'-P energy: -39.439
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: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -921.516113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.516113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.516113 (E_RNA)
where:
Base-Base interactions energy: -636.622
where: short stacking energy: -268.029
Base-Backbone interact. energy: -1.799
local terms energy: -283.095615
where:
bonds (distance) C4'-P energy: -56.839
bonds (distance) P-C4' energy: -43.262
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -77.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -887.447319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.447319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.447319 (E_RNA)
where:
Base-Base interactions energy: -616.299
where: short stacking energy: -269.966
Base-Backbone interact. energy: -0.032
local terms energy: -271.116795
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -48.422
flat angles C4'-P-C4' energy: -61.142
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -822.085307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.085307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.085307 (E_RNA)
where:
Base-Base interactions energy: -555.144
where: short stacking energy: -249.915
Base-Backbone interact. energy: -0.427
local terms energy: -266.514321
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -55.673
flat angles C4'-P-C4' energy: -51.337
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -70.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -809.275269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.275269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.275269 (E_RNA)
where:
Base-Base interactions energy: -545.395
where: short stacking energy: -223.281
Base-Backbone interact. energy: -2.037
local terms energy: -261.843205
where:
bonds (distance) C4'-P energy: -50.247
bonds (distance) P-C4' energy: -54.788
flat angles C4'-P-C4' energy: -53.158
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -65.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -733.136748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.136748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.136748 (E_RNA)
where:
Base-Base interactions energy: -512.805
where: short stacking energy: -211.202
Base-Backbone interact. energy: -0.329
local terms energy: -220.003482
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -45.410
flat angles C4'-P-C4' energy: -50.314
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -53.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -704.738382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.738382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.738382 (E_RNA)
where:
Base-Base interactions energy: -475.901
where: short stacking energy: -215.087
Base-Backbone interact. energy: 0.563
local terms energy: -229.401111
where:
bonds (distance) C4'-P energy: -39.756
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -52.948
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -57.875
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: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -677.694789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.694789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.694789 (E_RNA)
where:
Base-Base interactions energy: -451.555
where: short stacking energy: -185.506
Base-Backbone interact. energy: -0.692
local terms energy: -225.447871
where:
bonds (distance) C4'-P energy: -41.525
bonds (distance) P-C4' energy: -47.032
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -53.714
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: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -428.036200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.036200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.036200 (E_RNA)
where:
Base-Base interactions energy: -255.431
where: short stacking energy: -126.081
Base-Backbone interact. energy: -1.642
local terms energy: -170.963150
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -42.561
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -218.749804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.749804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.749804 (E_RNA)
where:
Base-Base interactions energy: -68.248
where: short stacking energy: -55.651
Base-Backbone interact. energy: 2.114
local terms energy: -152.616616
where:
bonds (distance) C4'-P energy: -44.650
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -37.154
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: 5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -943.442538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.442538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.442538 (E_RNA)
where:
Base-Base interactions energy: -642.852
where: short stacking energy: -274.720
Base-Backbone interact. energy: -1.280
local terms energy: -299.310939
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -58.801
flat angles C4'-P-C4' energy: -59.624
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -81.747
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: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -967.434195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.434195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.434195 (E_RNA)
where:
Base-Base interactions energy: -664.023
where: short stacking energy: -272.222
Base-Backbone interact. energy: -2.143
local terms energy: -301.267711
where:
bonds (distance) C4'-P energy: -54.636
bonds (distance) P-C4' energy: -50.656
flat angles C4'-P-C4' energy: -64.814
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -86.172
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: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -928.595261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.595261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.595261 (E_RNA)
where:
Base-Base interactions energy: -634.722
where: short stacking energy: -270.471
Base-Backbone interact. energy: -0.915
local terms energy: -292.958736
where:
bonds (distance) C4'-P energy: -52.848
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -82.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -822.479390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.479390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.479390 (E_RNA)
where:
Base-Base interactions energy: -573.058
where: short stacking energy: -238.624
Base-Backbone interact. energy: 0.062
local terms energy: -249.484074
where:
bonds (distance) C4'-P energy: -47.040
bonds (distance) P-C4' energy: -44.448
flat angles C4'-P-C4' energy: -57.442
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -61.439
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -798.952355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.952355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.952355 (E_RNA)
where:
Base-Base interactions energy: -531.010
where: short stacking energy: -225.200
Base-Backbone interact. energy: 0.001
local terms energy: -267.943540
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -59.651
flat angles C4'-P-C4' energy: -60.138
flat angles P-C4'-P energy: -40.557
tors. eta vs tors. theta energy: -67.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -764.081716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.081716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.081716 (E_RNA)
where:
Base-Base interactions energy: -528.089
where: short stacking energy: -213.461
Base-Backbone interact. energy: 0.099
local terms energy: -236.091965
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -53.548
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -57.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -677.032198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.032198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.032198 (E_RNA)
where:
Base-Base interactions energy: -455.680
where: short stacking energy: -205.309
Base-Backbone interact. energy: -1.515
local terms energy: -219.837213
where:
bonds (distance) C4'-P energy: -44.407
bonds (distance) P-C4' energy: -47.220
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -48.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -663.703794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.703794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.703794 (E_RNA)
where:
Base-Base interactions energy: -437.029
where: short stacking energy: -183.260
Base-Backbone interact. energy: -0.709
local terms energy: -225.965690
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -49.214
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -30.048
tors. eta vs tors. theta energy: -53.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -386.826752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.826752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.826752 (E_RNA)
where:
Base-Base interactions energy: -220.156
where: short stacking energy: -109.332
Base-Backbone interact. energy: -0.294
local terms energy: -166.376418
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -38.780
flat angles C4'-P-C4' energy: -37.977
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -243.840125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.840125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.840125 (E_RNA)
where:
Base-Base interactions energy: -91.316
where: short stacking energy: -75.440
Base-Backbone interact. energy: -1.067
local terms energy: -151.456651
where:
bonds (distance) C4'-P energy: -49.721
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: 7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -950.919301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.919301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.919301 (E_RNA)
where:
Base-Base interactions energy: -650.346
where: short stacking energy: -270.067
Base-Backbone interact. energy: -3.407
local terms energy: -297.166729
where:
bonds (distance) C4'-P energy: -57.024
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -57.671
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -83.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -952.287902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.287902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.287902 (E_RNA)
where:
Base-Base interactions energy: -652.233
where: short stacking energy: -271.756
Base-Backbone interact. energy: -1.233
local terms energy: -298.821771
where:
bonds (distance) C4'-P energy: -57.825
bonds (distance) P-C4' energy: -53.515
flat angles C4'-P-C4' energy: -63.559
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -84.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -889.756829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.756829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.756829 (E_RNA)
where:
Base-Base interactions energy: -606.172
where: short stacking energy: -265.963
Base-Backbone interact. energy: -0.052
local terms energy: -283.532338
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -54.935
flat angles C4'-P-C4' energy: -60.026
flat angles P-C4'-P energy: -42.588
tors. eta vs tors. theta energy: -78.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -864.576806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.576806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.576806 (E_RNA)
where:
Base-Base interactions energy: -598.715
where: short stacking energy: -257.265
Base-Backbone interact. energy: -0.459
local terms energy: -265.402900
where:
bonds (distance) C4'-P energy: -36.960
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -78.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -790.092774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.092774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.092774 (E_RNA)
where:
Base-Base interactions energy: -537.866
where: short stacking energy: -234.508
Base-Backbone interact. energy: 0.024
local terms energy: -252.250868
where:
bonds (distance) C4'-P energy: -44.237
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -57.643
flat angles P-C4'-P energy: -36.758
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: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -683.996211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.996211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.996211 (E_RNA)
where:
Base-Base interactions energy: -451.795
where: short stacking energy: -208.054
Base-Backbone interact. energy: -0.493
local terms energy: -231.708206
where:
bonds (distance) C4'-P energy: -44.513
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -48.886
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -55.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -763.382283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.382283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.382283 (E_RNA)
where:
Base-Base interactions energy: -532.117
where: short stacking energy: -210.059
Base-Backbone interact. energy: -0.434
local terms energy: -230.830819
where:
bonds (distance) C4'-P energy: -42.015
bonds (distance) P-C4' energy: -48.055
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -31.982
tors. eta vs tors. theta energy: -60.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -664.490207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.490207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.490207 (E_RNA)
where:
Base-Base interactions energy: -463.204
where: short stacking energy: -184.814
Base-Backbone interact. energy: -0.089
local terms energy: -201.197174
where:
bonds (distance) C4'-P energy: -42.317
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -50.551
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -48.854
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: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -417.445035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.445035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.445035 (E_RNA)
where:
Base-Base interactions energy: -247.486
where: short stacking energy: -120.814
Base-Backbone interact. energy: 0.376
local terms energy: -170.335085
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -44.556
flat angles C4'-P-C4' energy: -40.408
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -26.351
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: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -229.318758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.318758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.318758 (E_RNA)
where:
Base-Base interactions energy: -78.934
where: short stacking energy: -61.648
Base-Backbone interact. energy: 0.873
local terms energy: -151.257712
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -48.797
flat angles C4'-P-C4' energy: -39.522
flat angles P-C4'-P energy: -22.164
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -940.158602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.158602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.158602 (E_RNA)
where:
Base-Base interactions energy: -651.628
where: short stacking energy: -280.399
Base-Backbone interact. energy: -0.954
local terms energy: -287.576484
where:
bonds (distance) C4'-P energy: -55.267
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -56.049
flat angles P-C4'-P energy: -37.089
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: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -952.092833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.092833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.092833 (E_RNA)
where:
Base-Base interactions energy: -669.413
where: short stacking energy: -276.310
Base-Backbone interact. energy: -0.967
local terms energy: -281.713106
where:
bonds (distance) C4'-P energy: -42.280
bonds (distance) P-C4' energy: -59.783
flat angles C4'-P-C4' energy: -61.414
flat angles P-C4'-P energy: -36.174
tors. eta vs tors. theta energy: -82.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -901.117968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.117968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.117968 (E_RNA)
where:
Base-Base interactions energy: -612.682
where: short stacking energy: -270.374
Base-Backbone interact. energy: 0.345
local terms energy: -288.781446
where:
bonds (distance) C4'-P energy: -56.970
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -78.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -893.900614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.900614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.900614 (E_RNA)
where:
Base-Base interactions energy: -619.505
where: short stacking energy: -271.913
Base-Backbone interact. energy: -1.029
local terms energy: -273.366636
where:
bonds (distance) C4'-P energy: -45.690
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -36.505
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: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -779.552068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.552068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.552068 (E_RNA)
where:
Base-Base interactions energy: -547.909
where: short stacking energy: -244.070
Base-Backbone interact. energy: -0.339
local terms energy: -231.304434
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -42.409
flat angles C4'-P-C4' energy: -57.529
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -63.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -710.861584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.861584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.861584 (E_RNA)
where:
Base-Base interactions energy: -469.828
where: short stacking energy: -219.980
Base-Backbone interact. energy: -0.802
local terms energy: -240.231766
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -62.065
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -61.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -694.345583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.345583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.345583 (E_RNA)
where:
Base-Base interactions energy: -487.003
where: short stacking energy: -215.991
Base-Backbone interact. energy: 2.698
local terms energy: -210.040608
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -59.824
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -51.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -686.149731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.149731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.149731 (E_RNA)
where:
Base-Base interactions energy: -464.330
where: short stacking energy: -188.905
Base-Backbone interact. energy: 0.350
local terms energy: -222.169384
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -50.207
flat angles C4'-P-C4' energy: -43.959
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -49.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -451.313962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.313962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.313962 (E_RNA)
where:
Base-Base interactions energy: -259.009
where: short stacking energy: -132.012
Base-Backbone interact. energy: -1.078
local terms energy: -191.226396
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -46.006
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -227.635895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.635895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.635895 (E_RNA)
where:
Base-Base interactions energy: -74.191
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.685
local terms energy: -152.759663
where:
bonds (distance) C4'-P energy: -54.994
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: 11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -957.255791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.255791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.255791 (E_RNA)
where:
Base-Base interactions energy: -669.165
where: short stacking energy: -277.766
Base-Backbone interact. energy: -2.135
local terms energy: -285.955440
where:
bonds (distance) C4'-P energy: -46.827
bonds (distance) P-C4' energy: -60.065
flat angles C4'-P-C4' energy: -66.678
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -80.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -939.690021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.690021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.690021 (E_RNA)
where:
Base-Base interactions energy: -648.451
where: short stacking energy: -273.953
Base-Backbone interact. energy: 0.436
local terms energy: -291.674947
where:
bonds (distance) C4'-P energy: -53.860
bonds (distance) P-C4' energy: -56.708
flat angles C4'-P-C4' energy: -62.061
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -80.331
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: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -907.125791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.125791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.125791 (E_RNA)
where:
Base-Base interactions energy: -614.888
where: short stacking energy: -267.214
Base-Backbone interact. energy: -0.532
local terms energy: -291.705996
where:
bonds (distance) C4'-P energy: -52.165
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -64.124
flat angles P-C4'-P energy: -41.035
tors. eta vs tors. theta energy: -78.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -867.266314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.266314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.266314 (E_RNA)
where:
Base-Base interactions energy: -590.900
where: short stacking energy: -270.217
Base-Backbone interact. energy: -0.236
local terms energy: -276.130029
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -75.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -788.248259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.248259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.248259 (E_RNA)
where:
Base-Base interactions energy: -534.664
where: short stacking energy: -239.059
Base-Backbone interact. energy: -0.557
local terms energy: -253.027250
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -52.142
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -63.807
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: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -719.858812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.858812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.858812 (E_RNA)
where:
Base-Base interactions energy: -479.702
where: short stacking energy: -217.951
Base-Backbone interact. energy: -1.824
local terms energy: -238.332866
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -65.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -678.619628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.619628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.619628 (E_RNA)
where:
Base-Base interactions energy: -454.299
where: short stacking energy: -207.846
Base-Backbone interact. energy: 1.184
local terms energy: -225.504729
where:
bonds (distance) C4'-P energy: -43.870
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -54.974
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -54.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -658.012434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.012434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.012434 (E_RNA)
where:
Base-Base interactions energy: -456.699
where: short stacking energy: -176.546
Base-Backbone interact. energy: -0.614
local terms energy: -200.699582
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -48.414
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -38.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -409.065902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.065902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.065902 (E_RNA)
where:
Base-Base interactions energy: -203.119
where: short stacking energy: -111.358
Base-Backbone interact. energy: 1.408
local terms energy: -207.355371
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -51.856
flat angles C4'-P-C4' energy: -54.765
flat angles P-C4'-P energy: -37.802
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -218.216217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.216217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.216217 (E_RNA)
where:
Base-Base interactions energy: -77.519
where: short stacking energy: -62.173
Base-Backbone interact. energy: -1.232
local terms energy: -139.465224
where:
bonds (distance) C4'-P energy: -39.455
bonds (distance) P-C4' energy: -51.948
flat angles C4'-P-C4' energy: -44.825
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: 9.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -959.204247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.204247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.204247 (E_RNA)
where:
Base-Base interactions energy: -662.132
where: short stacking energy: -280.911
Base-Backbone interact. energy: -1.384
local terms energy: -295.688630
where:
bonds (distance) C4'-P energy: -51.460
bonds (distance) P-C4' energy: -52.682
flat angles C4'-P-C4' energy: -62.167
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -85.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -949.170702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.170702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.170702 (E_RNA)
where:
Base-Base interactions energy: -661.457
where: short stacking energy: -296.362
Base-Backbone interact. energy: 1.248
local terms energy: -288.961656
where:
bonds (distance) C4'-P energy: -50.735
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -62.134
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -87.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -880.608194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.608194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.608194 (E_RNA)
where:
Base-Base interactions energy: -592.889
where: short stacking energy: -243.004
Base-Backbone interact. energy: -0.327
local terms energy: -287.392283
where:
bonds (distance) C4'-P energy: -50.617
bonds (distance) P-C4' energy: -52.630
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -44.491
tors. eta vs tors. theta energy: -73.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -827.102382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.102382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.102382 (E_RNA)
where:
Base-Base interactions energy: -581.726
where: short stacking energy: -249.927
Base-Backbone interact. energy: -0.580
local terms energy: -244.796525
where:
bonds (distance) C4'-P energy: -48.924
bonds (distance) P-C4' energy: -38.738
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -73.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -773.118581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.118581 (E_RNA)
where:
Base-Base interactions energy: -522.630
where: short stacking energy: -223.373
Base-Backbone interact. energy: -0.267
local terms energy: -250.221733
where:
bonds (distance) C4'-P energy: -37.651
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -41.003
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: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -769.386365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.386365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.386365 (E_RNA)
where:
Base-Base interactions energy: -506.284
where: short stacking energy: -230.078
Base-Backbone interact. energy: -1.720
local terms energy: -261.381978
where:
bonds (distance) C4'-P energy: -52.347
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -70.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -695.385346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.385346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.385346 (E_RNA)
where:
Base-Base interactions energy: -456.061
where: short stacking energy: -203.744
Base-Backbone interact. energy: -0.066
local terms energy: -239.258729
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -51.979
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -50.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -733.539406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.539406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.539406 (E_RNA)
where:
Base-Base interactions energy: -500.740
where: short stacking energy: -220.308
Base-Backbone interact. energy: 0.257
local terms energy: -233.055859
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -44.027
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -58.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -409.625276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.625276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.625276 (E_RNA)
where:
Base-Base interactions energy: -237.970
where: short stacking energy: -115.315
Base-Backbone interact. energy: -2.356
local terms energy: -169.299413
where:
bonds (distance) C4'-P energy: -42.315
bonds (distance) P-C4' energy: -40.502
flat angles C4'-P-C4' energy: -39.367
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -21.880
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: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -218.650744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.650744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.650744 (E_RNA)
where:
Base-Base interactions energy: -65.986
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.541
local terms energy: -152.124136
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: 3.712
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: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -953.785631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.785631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.785631 (E_RNA)
where:
Base-Base interactions energy: -667.816
where: short stacking energy: -276.308
Base-Backbone interact. energy: 0.380
local terms energy: -286.349707
where:
bonds (distance) C4'-P energy: -48.501
bonds (distance) P-C4' energy: -52.539
flat angles C4'-P-C4' energy: -57.585
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -83.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -921.334399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.334399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.334399 (E_RNA)
where:
Base-Base interactions energy: -647.363
where: short stacking energy: -290.021
Base-Backbone interact. energy: -1.690
local terms energy: -272.280914
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -48.314
flat angles C4'-P-C4' energy: -58.552
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: -85.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -895.684488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.684488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.684488 (E_RNA)
where:
Base-Base interactions energy: -612.710
where: short stacking energy: -251.469
Base-Backbone interact. energy: -0.975
local terms energy: -282.000437
where:
bonds (distance) C4'-P energy: -56.306
bonds (distance) P-C4' energy: -56.013
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -72.859
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: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -835.768095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.768095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.768095 (E_RNA)
where:
Base-Base interactions energy: -558.997
where: short stacking energy: -250.688
Base-Backbone interact. energy: -0.948
local terms energy: -275.823547
where:
bonds (distance) C4'-P energy: -52.931
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -40.331
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: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -779.559992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.559992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.559992 (E_RNA)
where:
Base-Base interactions energy: -515.578
where: short stacking energy: -235.434
Base-Backbone interact. energy: 0.411
local terms energy: -264.392624
where:
bonds (distance) C4'-P energy: -45.164
bonds (distance) P-C4' energy: -57.858
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -41.848
tors. eta vs tors. theta energy: -66.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -713.712177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.712177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.712177 (E_RNA)
where:
Base-Base interactions energy: -467.996
where: short stacking energy: -221.330
Base-Backbone interact. energy: -0.056
local terms energy: -245.660046
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -53.317
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -64.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -671.795590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.795590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.795590 (E_RNA)
where:
Base-Base interactions energy: -459.532
where: short stacking energy: -184.664
Base-Backbone interact. energy: -1.271
local terms energy: -210.992562
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -36.993
flat angles C4'-P-C4' energy: -50.699
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -49.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -709.657969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.657969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.657969 (E_RNA)
where:
Base-Base interactions energy: -485.834
where: short stacking energy: -200.493
Base-Backbone interact. energy: 5.174
local terms energy: -228.997751
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -52.581
flat angles C4'-P-C4' energy: -55.067
flat angles P-C4'-P energy: -27.343
tors. eta vs tors. theta energy: -58.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -384.545059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.545059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.545059 (E_RNA)
where:
Base-Base interactions energy: -209.844
where: short stacking energy: -109.369
Base-Backbone interact. energy: -1.677
local terms energy: -173.023956
where:
bonds (distance) C4'-P energy: -42.962
bonds (distance) P-C4' energy: -46.906
flat angles C4'-P-C4' energy: -41.873
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: -12.882
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: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -269.059748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.059748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.059748 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -79.645
Base-Backbone interact. energy: 4.730
local terms energy: -147.915476
where:
bonds (distance) C4'-P energy: -46.004
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -976.345330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.345330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.345330 (E_RNA)
where:
Base-Base interactions energy: -680.379
where: short stacking energy: -273.562
Base-Backbone interact. energy: 0.535
local terms energy: -296.501692
where:
bonds (distance) C4'-P energy: -51.622
bonds (distance) P-C4' energy: -58.895
flat angles C4'-P-C4' energy: -60.873
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -89.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -938.877703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.877703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.877703 (E_RNA)
where:
Base-Base interactions energy: -648.228
where: short stacking energy: -287.470
Base-Backbone interact. energy: -0.491
local terms energy: -290.157981
where:
bonds (distance) C4'-P energy: -47.449
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -56.424
flat angles P-C4'-P energy: -50.247
tors. eta vs tors. theta energy: -84.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -902.640628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.640628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.640628 (E_RNA)
where:
Base-Base interactions energy: -624.276
where: short stacking energy: -274.492
Base-Backbone interact. energy: 1.127
local terms energy: -279.490725
where:
bonds (distance) C4'-P energy: -53.214
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -57.965
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -76.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -827.204215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.204215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.204215 (E_RNA)
where:
Base-Base interactions energy: -552.953
where: short stacking energy: -235.990
Base-Backbone interact. energy: -1.579
local terms energy: -272.672218
where:
bonds (distance) C4'-P energy: -48.475
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -61.708
flat angles P-C4'-P energy: -39.711
tors. eta vs tors. theta energy: -69.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -735.645408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.645408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.645408 (E_RNA)
where:
Base-Base interactions energy: -476.722
where: short stacking energy: -227.775
Base-Backbone interact. energy: -0.464
local terms energy: -258.458611
where:
bonds (distance) C4'-P energy: -40.427
bonds (distance) P-C4' energy: -52.438
flat angles C4'-P-C4' energy: -60.628
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -64.415
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: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -752.859411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.859411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.859411 (E_RNA)
where:
Base-Base interactions energy: -501.606
where: short stacking energy: -219.370
Base-Backbone interact. energy: -0.062
local terms energy: -251.191821
where:
bonds (distance) C4'-P energy: -52.691
bonds (distance) P-C4' energy: -52.261
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -64.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -757.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.902366 (E_RNA)
where:
Base-Base interactions energy: -512.531
where: short stacking energy: -213.961
Base-Backbone interact. energy: -1.659
local terms energy: -243.712148
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -53.367
flat angles P-C4'-P energy: -33.142
tors. eta vs tors. theta energy: -59.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -645.334042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.334042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.334042 (E_RNA)
where:
Base-Base interactions energy: -426.198
where: short stacking energy: -186.779
Base-Backbone interact. energy: -1.143
local terms energy: -217.992694
where:
bonds (distance) C4'-P energy: -49.208
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -47.657
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -42.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -438.991786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.991786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.991786 (E_RNA)
where:
Base-Base interactions energy: -276.618
where: short stacking energy: -123.875
Base-Backbone interact. energy: 4.940
local terms energy: -167.313174
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -39.564
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -14.927
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: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -248.506670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.506670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.506670 (E_RNA)
where:
Base-Base interactions energy: -94.410
where: short stacking energy: -81.214
Base-Backbone interact. energy: 1.039
local terms energy: -155.135697
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -50.401
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -2.639
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: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -974.204914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.204914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.204914 (E_RNA)
where:
Base-Base interactions energy: -673.199
where: short stacking energy: -280.056
Base-Backbone interact. energy: 0.082
local terms energy: -301.088166
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -64.870
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -90.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -943.585982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.585982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.585982 (E_RNA)
where:
Base-Base interactions energy: -638.858
where: short stacking energy: -280.705
Base-Backbone interact. energy: -1.474
local terms energy: -303.253729
where:
bonds (distance) C4'-P energy: -52.172
bonds (distance) P-C4' energy: -57.895
flat angles C4'-P-C4' energy: -64.606
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -83.279
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: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -903.995893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.995893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.995893 (E_RNA)
where:
Base-Base interactions energy: -616.664
where: short stacking energy: -261.918
Base-Backbone interact. energy: -0.352
local terms energy: -286.979314
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -61.371
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -76.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -838.395881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.395881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.395881 (E_RNA)
where:
Base-Base interactions energy: -562.662
where: short stacking energy: -249.114
Base-Backbone interact. energy: -0.695
local terms energy: -275.039377
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -76.408
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: 2
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -752.855872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.855872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.855872 (E_RNA)
where:
Base-Base interactions energy: -508.147
where: short stacking energy: -216.330
Base-Backbone interact. energy: -0.246
local terms energy: -244.462942
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -52.143
flat angles C4'-P-C4' energy: -54.875
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -58.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -759.590220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.590220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.590220 (E_RNA)
where:
Base-Base interactions energy: -520.917
where: short stacking energy: -228.538
Base-Backbone interact. energy: -1.497
local terms energy: -237.176268
where:
bonds (distance) C4'-P energy: -44.285
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -56.179
flat angles P-C4'-P energy: -32.857
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -740.589488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.589488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.589488 (E_RNA)
where:
Base-Base interactions energy: -516.257
where: short stacking energy: -197.120
Base-Backbone interact. energy: -0.754
local terms energy: -223.579116
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -48.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -667.539413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.539413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.539413 (E_RNA)
where:
Base-Base interactions energy: -459.254
where: short stacking energy: -194.116
Base-Backbone interact. energy: -0.155
local terms energy: -208.130690
where:
bonds (distance) C4'-P energy: -31.655
bonds (distance) P-C4' energy: -37.544
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -55.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -419.510685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.510685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.510685 (E_RNA)
where:
Base-Base interactions energy: -256.373
where: short stacking energy: -112.805
Base-Backbone interact. energy: -0.280
local terms energy: -162.856919
where:
bonds (distance) C4'-P energy: -41.726
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -231.309529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.309529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.309529 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -72.371
Base-Backbone interact. energy: -0.902
local terms energy: -139.898494
where:
bonds (distance) C4'-P energy: -41.393
bonds (distance) P-C4' energy: -39.656
flat angles C4'-P-C4' energy: -44.513
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: 7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -958.665045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.665045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.665045 (E_RNA)
where:
Base-Base interactions energy: -672.009
where: short stacking energy: -289.175
Base-Backbone interact. energy: -1.270
local terms energy: -285.386057
where:
bonds (distance) C4'-P energy: -45.651
bonds (distance) P-C4' energy: -52.803
flat angles C4'-P-C4' energy: -61.432
flat angles P-C4'-P energy: -43.028
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: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -954.680015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.680015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.680015 (E_RNA)
where:
Base-Base interactions energy: -656.649
where: short stacking energy: -293.863
Base-Backbone interact. energy: -1.192
local terms energy: -296.838740
where:
bonds (distance) C4'-P energy: -48.479
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -62.810
flat angles P-C4'-P energy: -47.272
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: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -853.148289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.148289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.148289 (E_RNA)
where:
Base-Base interactions energy: -577.850
where: short stacking energy: -262.292
Base-Backbone interact. energy: -1.008
local terms energy: -274.290360
where:
bonds (distance) C4'-P energy: -48.353
bonds (distance) P-C4' energy: -58.390
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -70.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -878.803483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.803483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.803483 (E_RNA)
where:
Base-Base interactions energy: -607.165
where: short stacking energy: -245.700
Base-Backbone interact. energy: -0.745
local terms energy: -270.893266
where:
bonds (distance) C4'-P energy: -56.229
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -59.946
flat angles P-C4'-P energy: -34.528
tors. eta vs tors. theta energy: -65.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -787.528341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.528341 (E_RNA)
where:
Base-Base interactions energy: -539.594
where: short stacking energy: -227.435
Base-Backbone interact. energy: -0.988
local terms energy: -246.946037
where:
bonds (distance) C4'-P energy: -48.243
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: -62.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -743.848732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.848732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.848732 (E_RNA)
where:
Base-Base interactions energy: -503.435
where: short stacking energy: -212.785
Base-Backbone interact. energy: -0.674
local terms energy: -239.740091
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -54.584
flat angles P-C4'-P energy: -30.611
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: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -759.159105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.159105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.159105 (E_RNA)
where:
Base-Base interactions energy: -527.126
where: short stacking energy: -204.358
Base-Backbone interact. energy: -0.437
local terms energy: -231.595311
where:
bonds (distance) C4'-P energy: -45.142
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -49.192
flat angles P-C4'-P energy: -30.440
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: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -646.599126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.599126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.599126 (E_RNA)
where:
Base-Base interactions energy: -444.782
where: short stacking energy: -196.873
Base-Backbone interact. energy: -0.566
local terms energy: -201.251329
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -23.340
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -54.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -379.911070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.911070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.911070 (E_RNA)
where:
Base-Base interactions energy: -215.980
where: short stacking energy: -107.117
Base-Backbone interact. energy: -1.661
local terms energy: -162.270189
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -38.297
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -32.430
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -222.044016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.044016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.044016 (E_RNA)
where:
Base-Base interactions energy: -89.501
where: short stacking energy: -71.245
Base-Backbone interact. energy: 2.574
local terms energy: -135.117549
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -32.553
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: 4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -962.447598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.447598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.447598 (E_RNA)
where:
Base-Base interactions energy: -665.361
where: short stacking energy: -266.847
Base-Backbone interact. energy: 0.067
local terms energy: -297.153587
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -85.825
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: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -943.579291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.579291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.579291 (E_RNA)
where:
Base-Base interactions energy: -660.177
where: short stacking energy: -286.516
Base-Backbone interact. energy: 0.000
local terms energy: -283.402394
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -45.769
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -80.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -842.574242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.574242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.574242 (E_RNA)
where:
Base-Base interactions energy: -573.126
where: short stacking energy: -253.976
Base-Backbone interact. energy: -0.103
local terms energy: -269.345334
where:
bonds (distance) C4'-P energy: -52.248
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -57.674
flat angles P-C4'-P energy: -41.637
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: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -875.318985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.318985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.318985 (E_RNA)
where:
Base-Base interactions energy: -622.056
where: short stacking energy: -254.505
Base-Backbone interact. energy: -0.748
local terms energy: -252.515697
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -52.114
flat angles P-C4'-P energy: -39.696
tors. eta vs tors. theta energy: -68.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -804.119023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.119023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.119023 (E_RNA)
where:
Base-Base interactions energy: -551.856
where: short stacking energy: -232.457
Base-Backbone interact. energy: -1.129
local terms energy: -251.134151
where:
bonds (distance) C4'-P energy: -45.157
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -37.383
tors. eta vs tors. theta energy: -64.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -732.729086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.729086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.729086 (E_RNA)
where:
Base-Base interactions energy: -497.570
where: short stacking energy: -222.296
Base-Backbone interact. energy: -0.220
local terms energy: -234.939964
where:
bonds (distance) C4'-P energy: -40.962
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -51.841
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -63.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -737.678328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.678328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.678328 (E_RNA)
where:
Base-Base interactions energy: -512.959
where: short stacking energy: -218.650
Base-Backbone interact. energy: -0.870
local terms energy: -223.849797
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -48.740
flat angles C4'-P-C4' energy: -46.769
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -56.266
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: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -637.233902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.233902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.233902 (E_RNA)
where:
Base-Base interactions energy: -415.184
where: short stacking energy: -180.445
Base-Backbone interact. energy: -0.262
local terms energy: -221.787408
where:
bonds (distance) C4'-P energy: -45.150
bonds (distance) P-C4' energy: -47.036
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -51.629
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: 9, replica: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -383.312082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.312082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.312082 (E_RNA)
where:
Base-Base interactions energy: -216.023
where: short stacking energy: -103.736
Base-Backbone interact. energy: 0.599
local terms energy: -167.889009
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -222.432213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.432213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.432213 (E_RNA)
where:
Base-Base interactions energy: -73.363
where: short stacking energy: -59.641
Base-Backbone interact. energy: -0.399
local terms energy: -148.670134
where:
bonds (distance) C4'-P energy: -35.766
bonds (distance) P-C4' energy: -52.878
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: 0.285
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: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -952.420768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.420768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.420768 (E_RNA)
where:
Base-Base interactions energy: -661.966
where: short stacking energy: -294.615
Base-Backbone interact. energy: -0.921
local terms energy: -289.534387
where:
bonds (distance) C4'-P energy: -48.651
bonds (distance) P-C4' energy: -55.522
flat angles C4'-P-C4' energy: -55.964
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -87.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -946.058632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.058632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.058632 (E_RNA)
where:
Base-Base interactions energy: -660.907
where: short stacking energy: -274.762
Base-Backbone interact. energy: 3.755
local terms energy: -288.906885
where:
bonds (distance) C4'-P energy: -52.223
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -83.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -896.244219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.244219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.244219 (E_RNA)
where:
Base-Base interactions energy: -623.517
where: short stacking energy: -261.735
Base-Backbone interact. energy: -0.417
local terms energy: -272.309702
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -55.873
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -74.399
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: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -839.146077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.146077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.146077 (E_RNA)
where:
Base-Base interactions energy: -567.876
where: short stacking energy: -254.879
Base-Backbone interact. energy: -0.505
local terms energy: -270.764794
where:
bonds (distance) C4'-P energy: -49.373
bonds (distance) P-C4' energy: -49.054
flat angles C4'-P-C4' energy: -58.399
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -73.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -823.873084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.873084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.873084 (E_RNA)
where:
Base-Base interactions energy: -561.492
where: short stacking energy: -246.850
Base-Backbone interact. energy: 0.181
local terms energy: -262.561364
where:
bonds (distance) C4'-P energy: -49.962
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -48.935
flat angles P-C4'-P energy: -40.198
tors. eta vs tors. theta energy: -69.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -714.629786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.629786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.629786 (E_RNA)
where:
Base-Base interactions energy: -475.517
where: short stacking energy: -208.867
Base-Backbone interact. energy: 0.491
local terms energy: -239.603243
where:
bonds (distance) C4'-P energy: -50.462
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -50.938
flat angles P-C4'-P energy: -37.024
tors. eta vs tors. theta energy: -56.304
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: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -722.521780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.521780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.521780 (E_RNA)
where:
Base-Base interactions energy: -482.047
where: short stacking energy: -190.998
Base-Backbone interact. energy: -0.415
local terms energy: -240.059485
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -54.215
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: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -625.168108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.168108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.168108 (E_RNA)
where:
Base-Base interactions energy: -429.006
where: short stacking energy: -184.315
Base-Backbone interact. energy: -0.548
local terms energy: -195.613454
where:
bonds (distance) C4'-P energy: -41.427
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -48.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -416.353246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.353246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.353246 (E_RNA)
where:
Base-Base interactions energy: -234.805
where: short stacking energy: -118.706
Base-Backbone interact. energy: -0.388
local terms energy: -181.159516
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -56.222
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -250.293509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.293509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.293509 (E_RNA)
where:
Base-Base interactions energy: -99.510
where: short stacking energy: -65.956
Base-Backbone interact. energy: 5.991
local terms energy: -156.774179
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -48.821
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -0.461
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: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -954.293050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.293050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.293050 (E_RNA)
where:
Base-Base interactions energy: -666.930
where: short stacking energy: -281.922
Base-Backbone interact. energy: -1.902
local terms energy: -285.460956
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -50.352
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -80.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -942.780377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.780377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.780377 (E_RNA)
where:
Base-Base interactions energy: -670.451
where: short stacking energy: -272.328
Base-Backbone interact. energy: 0.486
local terms energy: -272.815017
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -58.420
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -81.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -905.709278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.709278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.709278 (E_RNA)
where:
Base-Base interactions energy: -630.466
where: short stacking energy: -272.456
Base-Backbone interact. energy: 0.896
local terms energy: -276.139336
where:
bonds (distance) C4'-P energy: -52.545
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -58.423
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -75.013
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: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -824.054588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.054588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.054588 (E_RNA)
where:
Base-Base interactions energy: -570.979
where: short stacking energy: -229.131
Base-Backbone interact. energy: -0.327
local terms energy: -252.748661
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -70.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -794.537490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.537490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.537490 (E_RNA)
where:
Base-Base interactions energy: -518.876
where: short stacking energy: -240.673
Base-Backbone interact. energy: -1.001
local terms energy: -274.660322
where:
bonds (distance) C4'-P energy: -37.124
bonds (distance) P-C4' energy: -54.891
flat angles C4'-P-C4' energy: -62.232
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -77.121
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: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -775.158663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.158663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.158663 (E_RNA)
where:
Base-Base interactions energy: -514.231
where: short stacking energy: -218.153
Base-Backbone interact. energy: -1.469
local terms energy: -259.458726
where:
bonds (distance) C4'-P energy: -51.489
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -59.782
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -66.019
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: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -692.480110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.480110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.480110 (E_RNA)
where:
Base-Base interactions energy: -472.847
where: short stacking energy: -209.632
Base-Backbone interact. energy: -0.330
local terms energy: -219.303396
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -38.978
flat angles C4'-P-C4' energy: -47.907
flat angles P-C4'-P energy: -31.804
tors. eta vs tors. theta energy: -61.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -665.143520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.143520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.143520 (E_RNA)
where:
Base-Base interactions energy: -432.388
where: short stacking energy: -187.131
Base-Backbone interact. energy: -1.049
local terms energy: -231.705798
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: -56.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -403.010795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.010795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.010795 (E_RNA)
where:
Base-Base interactions energy: -227.920
where: short stacking energy: -118.426
Base-Backbone interact. energy: 3.457
local terms energy: -178.547477
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -227.862246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.862246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.862246 (E_RNA)
where:
Base-Base interactions energy: -79.159
where: short stacking energy: -71.283
Base-Backbone interact. energy: 0.955
local terms energy: -149.658313
where:
bonds (distance) C4'-P energy: -51.963
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: 6.566
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: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -958.987587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.987587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.987587 (E_RNA)
where:
Base-Base interactions energy: -664.509
where: short stacking energy: -283.216
Base-Backbone interact. energy: -1.461
local terms energy: -293.017743
where:
bonds (distance) C4'-P energy: -52.504
bonds (distance) P-C4' energy: -54.505
flat angles C4'-P-C4' energy: -61.506
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -86.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -943.349867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.349867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.349867 (E_RNA)
where:
Base-Base interactions energy: -645.372
where: short stacking energy: -272.894
Base-Backbone interact. energy: -0.393
local terms energy: -297.585241
where:
bonds (distance) C4'-P energy: -55.099
bonds (distance) P-C4' energy: -51.565
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -43.273
tors. eta vs tors. theta energy: -82.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -917.345843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.345843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.345843 (E_RNA)
where:
Base-Base interactions energy: -646.611
where: short stacking energy: -285.217
Base-Backbone interact. energy: -0.179
local terms energy: -270.555751
where:
bonds (distance) C4'-P energy: -50.067
bonds (distance) P-C4' energy: -50.425
flat angles C4'-P-C4' energy: -57.783
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -79.459
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: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -835.761921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.761921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.761921 (E_RNA)
where:
Base-Base interactions energy: -554.786
where: short stacking energy: -236.655
Base-Backbone interact. energy: -1.419
local terms energy: -279.556667
where:
bonds (distance) C4'-P energy: -50.607
bonds (distance) P-C4' energy: -53.385
flat angles C4'-P-C4' energy: -62.761
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -69.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -788.389317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.389317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.389317 (E_RNA)
where:
Base-Base interactions energy: -543.567
where: short stacking energy: -241.032
Base-Backbone interact. energy: 1.536
local terms energy: -246.358444
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -65.715
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: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -758.677073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.677073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.677073 (E_RNA)
where:
Base-Base interactions energy: -523.138
where: short stacking energy: -212.646
Base-Backbone interact. energy: 0.065
local terms energy: -235.604332
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -42.980
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -59.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -674.059954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.059954 (E_RNA)
where:
Base-Base interactions energy: -454.243
where: short stacking energy: -187.380
Base-Backbone interact. energy: 1.002
local terms energy: -220.819540
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -39.258
flat angles C4'-P-C4' energy: -49.073
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -54.956
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: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -670.940770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.940770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.940770 (E_RNA)
where:
Base-Base interactions energy: -430.300
where: short stacking energy: -178.796
Base-Backbone interact. energy: -0.646
local terms energy: -239.994615
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -55.191
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -49.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -425.111077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.111077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.111077 (E_RNA)
where:
Base-Base interactions energy: -236.466
where: short stacking energy: -121.276
Base-Backbone interact. energy: 0.624
local terms energy: -189.269286
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -45.392
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -25.024
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -243.858999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.858999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.858999 (E_RNA)
where:
Base-Base interactions energy: -89.998
where: short stacking energy: -77.345
Base-Backbone interact. energy: -0.285
local terms energy: -153.575939
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -51.674
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -956.176328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.176328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.176328 (E_RNA)
where:
Base-Base interactions energy: -665.946
where: short stacking energy: -275.301
Base-Backbone interact. energy: -0.031
local terms energy: -290.199945
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -47.424
flat angles C4'-P-C4' energy: -64.533
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -79.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -920.871619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.871619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.871619 (E_RNA)
where:
Base-Base interactions energy: -636.048
where: short stacking energy: -277.006
Base-Backbone interact. energy: -1.691
local terms energy: -283.132568
where:
bonds (distance) C4'-P energy: -45.465
bonds (distance) P-C4' energy: -53.077
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -84.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -909.790603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.790603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.790603 (E_RNA)
where:
Base-Base interactions energy: -628.204
where: short stacking energy: -260.418
Base-Backbone interact. energy: -1.361
local terms energy: -280.225062
where:
bonds (distance) C4'-P energy: -53.383
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -77.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -837.840531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.840531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.840531 (E_RNA)
where:
Base-Base interactions energy: -584.324
where: short stacking energy: -232.013
Base-Backbone interact. energy: -0.929
local terms energy: -252.588136
where:
bonds (distance) C4'-P energy: -44.818
bonds (distance) P-C4' energy: -52.050
flat angles C4'-P-C4' energy: -57.177
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: -63.100
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: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -768.846359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.846359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.846359 (E_RNA)
where:
Base-Base interactions energy: -503.507
where: short stacking energy: -216.697
Base-Backbone interact. energy: 1.655
local terms energy: -266.994674
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -49.865
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -64.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -764.317240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.317240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.317240 (E_RNA)
where:
Base-Base interactions energy: -531.074
where: short stacking energy: -233.800
Base-Backbone interact. energy: -0.296
local terms energy: -232.947258
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -43.985
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -53.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -685.366397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.366397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.366397 (E_RNA)
where:
Base-Base interactions energy: -447.390
where: short stacking energy: -205.427
Base-Backbone interact. energy: -1.382
local terms energy: -236.594270
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -46.393
flat angles C4'-P-C4' energy: -54.869
flat angles P-C4'-P energy: -35.836
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: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -651.428991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.428991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.428991 (E_RNA)
where:
Base-Base interactions energy: -436.754
where: short stacking energy: -178.293
Base-Backbone interact. energy: -0.482
local terms energy: -214.193140
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -28.518
tors. eta vs tors. theta energy: -51.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -398.961029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.961029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.961029 (E_RNA)
where:
Base-Base interactions energy: -248.044
where: short stacking energy: -110.685
Base-Backbone interact. energy: -0.197
local terms energy: -150.719837
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -41.067
flat angles C4'-P-C4' energy: -39.926
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -230.982683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.982683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.982683 (E_RNA)
where:
Base-Base interactions energy: -75.265
where: short stacking energy: -55.011
Base-Backbone interact. energy: 1.321
local terms energy: -157.038153
where:
bonds (distance) C4'-P energy: -50.613
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -42.904
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: 11.251
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: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -963.404021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.404021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.404021 (E_RNA)
where:
Base-Base interactions energy: -676.560
where: short stacking energy: -279.577
Base-Backbone interact. energy: -0.977
local terms energy: -285.867075
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -89.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -914.422497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.422497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.422497 (E_RNA)
where:
Base-Base interactions energy: -635.221
where: short stacking energy: -270.756
Base-Backbone interact. energy: -0.328
local terms energy: -278.872820
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -47.108
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -79.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -917.163823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.163823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.163823 (E_RNA)
where:
Base-Base interactions energy: -632.064
where: short stacking energy: -268.833
Base-Backbone interact. energy: -0.560
local terms energy: -284.539664
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -55.994
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: -85.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -830.282340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.282340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.282340 (E_RNA)
where:
Base-Base interactions energy: -567.870
where: short stacking energy: -238.883
Base-Backbone interact. energy: 0.044
local terms energy: -262.456389
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -52.823
flat angles C4'-P-C4' energy: -52.940
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -68.986
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: 498
Temperature: 1.100000
Total energy: -779.885893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.885893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.885893 (E_RNA)
where:
Base-Base interactions energy: -527.071
where: short stacking energy: -230.516
Base-Backbone interact. energy: -0.153
local terms energy: -252.661394
where:
bonds (distance) C4'-P energy: -47.948
bonds (distance) P-C4' energy: -48.043
flat angles C4'-P-C4' energy: -49.971
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -66.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -754.823113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.823113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.823113 (E_RNA)
where:
Base-Base interactions energy: -524.724
where: short stacking energy: -220.599
Base-Backbone interact. energy: 0.774
local terms energy: -230.873218
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -54.139
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -57.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -676.184416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.184416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.184416 (E_RNA)
where:
Base-Base interactions energy: -451.611
where: short stacking energy: -202.779
Base-Backbone interact. energy: 0.025
local terms energy: -224.598670
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -54.624
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: -50.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -630.182031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.182031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.182031 (E_RNA)
where:
Base-Base interactions energy: -417.287
where: short stacking energy: -185.760
Base-Backbone interact. energy: 0.964
local terms energy: -213.859195
where:
bonds (distance) C4'-P energy: -47.061
bonds (distance) P-C4' energy: -41.197
flat angles C4'-P-C4' energy: -53.454
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -42.198
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: 498
Temperature: 1.300000
Total energy: -419.200196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.200196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.200196 (E_RNA)
where:
Base-Base interactions energy: -233.346
where: short stacking energy: -114.308
Base-Backbone interact. energy: -0.589
local terms energy: -185.265282
where:
bonds (distance) C4'-P energy: -44.043
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -52.084
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -229.502915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.502915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.502915 (E_RNA)
where:
Base-Base interactions energy: -69.025
where: short stacking energy: -61.024
Base-Backbone interact. energy: -1.442
local terms energy: -159.035641
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: 2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -986.768306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.768306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.768306 (E_RNA)
where:
Base-Base interactions energy: -684.785
where: short stacking energy: -296.135
Base-Backbone interact. energy: -0.353
local terms energy: -301.630321
where:
bonds (distance) C4'-P energy: -59.247
bonds (distance) P-C4' energy: -48.201
flat angles C4'-P-C4' energy: -60.606
flat angles P-C4'-P energy: -47.439
tors. eta vs tors. theta energy: -86.138
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: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -908.886614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.886614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.886614 (E_RNA)
where:
Base-Base interactions energy: -639.868
where: short stacking energy: -275.267
Base-Backbone interact. energy: 1.183
local terms energy: -270.201363
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -45.338
flat angles C4'-P-C4' energy: -55.454
flat angles P-C4'-P energy: -37.316
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: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -932.784126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.784126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.784126 (E_RNA)
where:
Base-Base interactions energy: -649.720
where: short stacking energy: -276.931
Base-Backbone interact. energy: -1.242
local terms energy: -281.822182
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -50.149
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -37.212
tors. eta vs tors. theta energy: -85.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -859.608145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.608145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.608145 (E_RNA)
where:
Base-Base interactions energy: -597.850
where: short stacking energy: -260.204
Base-Backbone interact. energy: 0.107
local terms energy: -261.865158
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -54.124
flat angles P-C4'-P energy: -36.437
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: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -765.250917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.250917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.250917 (E_RNA)
where:
Base-Base interactions energy: -516.722
where: short stacking energy: -222.885
Base-Backbone interact. energy: -0.647
local terms energy: -247.881220
where:
bonds (distance) C4'-P energy: -47.284
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: -60.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -740.883398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.883398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.883398 (E_RNA)
where:
Base-Base interactions energy: -498.742
where: short stacking energy: -212.397
Base-Backbone interact. energy: -1.346
local terms energy: -240.795674
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -26.566
tors. eta vs tors. theta energy: -57.939
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: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -685.029188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.029188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.029188 (E_RNA)
where:
Base-Base interactions energy: -467.979
where: short stacking energy: -200.499
Base-Backbone interact. energy: -0.816
local terms energy: -216.233635
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -55.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -644.309190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.309190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.309190 (E_RNA)
where:
Base-Base interactions energy: -421.164
where: short stacking energy: -175.963
Base-Backbone interact. energy: 0.369
local terms energy: -223.514588
where:
bonds (distance) C4'-P energy: -39.545
bonds (distance) P-C4' energy: -48.336
flat angles C4'-P-C4' energy: -50.482
flat angles P-C4'-P energy: -34.667
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: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -411.728784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.728784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.728784 (E_RNA)
where:
Base-Base interactions energy: -258.634
where: short stacking energy: -141.012
Base-Backbone interact. energy: 0.985
local terms energy: -154.079283
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -28.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -226.653615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.653615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.653615 (E_RNA)
where:
Base-Base interactions energy: -85.754
where: short stacking energy: -78.075
Base-Backbone interact. energy: 1.481
local terms energy: -142.381152
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -38.442
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -2.425
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: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -972.108539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.108539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.108539 (E_RNA)
where:
Base-Base interactions energy: -663.395
where: short stacking energy: -288.413
Base-Backbone interact. energy: -0.029
local terms energy: -308.684408
where:
bonds (distance) C4'-P energy: -63.298
bonds (distance) P-C4' energy: -54.953
flat angles C4'-P-C4' energy: -59.144
flat angles P-C4'-P energy: -45.201
tors. eta vs tors. theta energy: -86.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -909.961386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.961386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.961386 (E_RNA)
where:
Base-Base interactions energy: -636.196
where: short stacking energy: -269.271
Base-Backbone interact. energy: -0.070
local terms energy: -273.695644
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -52.004
flat angles C4'-P-C4' energy: -57.046
flat angles P-C4'-P energy: -39.163
tors. eta vs tors. theta energy: -74.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -925.045191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.045191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.045191 (E_RNA)
where:
Base-Base interactions energy: -626.994
where: short stacking energy: -263.719
Base-Backbone interact. energy: -0.953
local terms energy: -297.098630
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -61.854
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -81.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -849.970187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.970187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.970187 (E_RNA)
where:
Base-Base interactions energy: -594.308
where: short stacking energy: -242.727
Base-Backbone interact. energy: 0.247
local terms energy: -255.908680
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -52.333
flat angles P-C4'-P energy: -31.443
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: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -830.092753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.092753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.092753 (E_RNA)
where:
Base-Base interactions energy: -551.926
where: short stacking energy: -229.273
Base-Backbone interact. energy: -1.056
local terms energy: -277.110596
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -59.761
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -43.807
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: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -750.231453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.231453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.231453 (E_RNA)
where:
Base-Base interactions energy: -498.660
where: short stacking energy: -209.302
Base-Backbone interact. energy: -0.944
local terms energy: -250.627384
where:
bonds (distance) C4'-P energy: -56.685
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -56.329
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -56.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -701.018485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.018485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.018485 (E_RNA)
where:
Base-Base interactions energy: -473.912
where: short stacking energy: -212.360
Base-Backbone interact. energy: 0.654
local terms energy: -227.760555
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -46.649
flat angles C4'-P-C4' energy: -53.333
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -50.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -647.421344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.421344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.421344 (E_RNA)
where:
Base-Base interactions energy: -445.180
where: short stacking energy: -181.416
Base-Backbone interact. energy: -1.065
local terms energy: -201.175819
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -29.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -415.981237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.981237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.981237 (E_RNA)
where:
Base-Base interactions energy: -239.388
where: short stacking energy: -120.209
Base-Backbone interact. energy: -1.034
local terms energy: -175.558951
where:
bonds (distance) C4'-P energy: -51.147
bonds (distance) P-C4' energy: -48.535
flat angles C4'-P-C4' energy: -38.243
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -11.380
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: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -223.376338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.376338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.376338 (E_RNA)
where:
Base-Base interactions energy: -64.952
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.422
local terms energy: -158.002486
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -42.221
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -1.211
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: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -972.150906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.150906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.150906 (E_RNA)
where:
Base-Base interactions energy: -662.032
where: short stacking energy: -290.017
Base-Backbone interact. energy: -1.344
local terms energy: -308.774869
where:
bonds (distance) C4'-P energy: -51.282
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -60.226
flat angles P-C4'-P energy: -47.987
tors. eta vs tors. theta energy: -90.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -936.497451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.497451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.497451 (E_RNA)
where:
Base-Base interactions energy: -649.082
where: short stacking energy: -275.563
Base-Backbone interact. energy: 0.599
local terms energy: -288.013978
where:
bonds (distance) C4'-P energy: -52.479
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -61.355
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -80.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -902.414148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.414148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.414148 (E_RNA)
where:
Base-Base interactions energy: -625.855
where: short stacking energy: -267.315
Base-Backbone interact. energy: -0.756
local terms energy: -275.802863
where:
bonds (distance) C4'-P energy: -47.230
bonds (distance) P-C4' energy: -47.988
flat angles C4'-P-C4' energy: -62.061
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -74.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -821.469433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.469433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.469433 (E_RNA)
where:
Base-Base interactions energy: -556.356
where: short stacking energy: -237.838
Base-Backbone interact. energy: -1.157
local terms energy: -263.955919
where:
bonds (distance) C4'-P energy: -57.892
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -45.948
tors. eta vs tors. theta energy: -66.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -845.153828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.153828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.153828 (E_RNA)
where:
Base-Base interactions energy: -568.199
where: short stacking energy: -256.527
Base-Backbone interact. energy: -0.711
local terms energy: -276.243557
where:
bonds (distance) C4'-P energy: -49.617
bonds (distance) P-C4' energy: -56.048
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -73.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -762.053910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.053910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.053910 (E_RNA)
where:
Base-Base interactions energy: -519.700
where: short stacking energy: -227.313
Base-Backbone interact. energy: 0.998
local terms energy: -243.351937
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -41.672
flat angles C4'-P-C4' energy: -58.164
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -64.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -708.340627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.340627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.340627 (E_RNA)
where:
Base-Base interactions energy: -464.662
where: short stacking energy: -214.079
Base-Backbone interact. energy: 0.393
local terms energy: -244.071464
where:
bonds (distance) C4'-P energy: -56.065
bonds (distance) P-C4' energy: -41.409
flat angles C4'-P-C4' energy: -53.266
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -52.772
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: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -654.601050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.601050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.601050 (E_RNA)
where:
Base-Base interactions energy: -452.974
where: short stacking energy: -185.865
Base-Backbone interact. energy: -1.242
local terms energy: -200.385083
where:
bonds (distance) C4'-P energy: -43.909
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -38.860
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: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -411.276813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.276813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.276813 (E_RNA)
where:
Base-Base interactions energy: -223.672
where: short stacking energy: -112.845
Base-Backbone interact. energy: 0.583
local terms energy: -188.187223
where:
bonds (distance) C4'-P energy: -48.562
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -46.392
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -226.566638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566638 (E_RNA)
where:
Base-Base interactions energy: -64.442
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.936
local terms energy: -161.188573
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -46.763
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: 5.292
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)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 37989090
moves confirmed later: 40976913
all moves confirmed: 78966003
percent of confirmed moves: 9.870750
current total energy: -933.168043
recalc. total energy: -933.168043
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 38777095
moves confirmed later: 41723822
all moves confirmed: 80500917
percent of confirmed moves: 10.062615
current total energy: -855.999298
recalc. total energy: -855.999298
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 46213819
moves confirmed later: 51778963
all moves confirmed: 97992782
percent of confirmed moves: 12.249098
current total energy: -767.992667
recalc. total energy: -767.992667
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 47141051
moves confirmed later: 53132704
all moves confirmed: 100273755
percent of confirmed moves: 12.534219
current total energy: -763.124989
recalc. total energy: -763.124989
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 50089896
moves confirmed later: 56943980
all moves confirmed: 107033876
percent of confirmed moves: 13.379235
current total energy: -728.277720
recalc. total energy: -728.277720
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 45114196
moves confirmed later: 50294085
all moves confirmed: 95408281
percent of confirmed moves: 11.926035
current total energy: -658.190975
recalc. total energy: -658.190975
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 45283118
moves confirmed later: 50571854
all moves confirmed: 95854972
percent of confirmed moves: 11.981872
current total energy: -629.108745
recalc. total energy: -629.108745
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 49590743
moves confirmed later: 56323524
all moves confirmed: 105914267
percent of confirmed moves: 13.239283
current total energy: -564.424904
recalc. total energy: -564.424904
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 77131255
moves confirmed later: 92180087
all moves confirmed: 169311342
percent of confirmed moves: 21.163918
current total energy: -337.939113
recalc. total energy: -337.939113
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 98931795
moves confirmed later: 120052002
all moves confirmed: 218983797
percent of confirmed moves: 27.372975
current total energy: -108.431434
recalc. total energy: -108.431434
out arg RESULTS//1/Denv1_dominio3_RNAco-da00c1ee_01
Time of doing 8000000 iterations: 14162.759 seconds